Organonitrogen Compounds
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Creatine monohydrate, 99%
CAS: 6020-87-7 Molecular Formula: C4H9N3O2·H2O Molecular Weight (g/mol): 149.15 MDL Number: MFCD00071582 InChI Key: MEJYXFHCRXAUIL-UHFFFAOYSA-N Synonym: creatine monohydrate,creatine hydrate,2-1-methylguanidino acetic acid hydrate,creatine, monohydrate,creatinemonohydrate,unii-9603ln7r2q,glycine, n-aminoiminomethyl-n-methyl-, monohydrate,n-amidinosarcosine monohydrate,n-aminoiminomethyl-n-methylglycine monohydrate,creapure PubChem CID: 80116 IUPAC Name: 2-[carbamimidoyl(methyl)amino]acetic acid;hydrate SMILES: CN(CC(=O)O)C(=N)N.O
| PubChem CID | 80116 |
|---|---|
| CAS | 6020-87-7 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00071582 |
| SMILES | CN(CC(=O)O)C(=N)N.O |
| Synonym | creatine monohydrate,creatine hydrate,2-1-methylguanidino acetic acid hydrate,creatine, monohydrate,creatinemonohydrate,unii-9603ln7r2q,glycine, n-aminoiminomethyl-n-methyl-, monohydrate,n-amidinosarcosine monohydrate,n-aminoiminomethyl-n-methylglycine monohydrate,creapure |
| IUPAC Name | 2-[carbamimidoyl(methyl)amino]acetic acid;hydrate |
| InChI Key | MEJYXFHCRXAUIL-UHFFFAOYSA-N |
| Molecular Formula | C4H9N3O2·H2O |
Mineral oil, high purity
CAS: 8042-47-5 Molecular Formula: C16H10N2Na2O7S2 Molecular Weight (g/mol): 452.363 MDL Number: MFCD00131611 InChI Key: AEOVEGJBKQQFOP-DDVLFWKVSA-L Synonym: acid orange 10,wool orange 2g,orange g,c.i. acid orange 10,c.i. orange g,c.i. food orange 4,light orange g,colacid orange g,dolkwal orange g,hexacol orange g PubChem CID: 9566064 IUPAC Name: disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate SMILES: C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 9566064 |
|---|---|
| CAS | 8042-47-5 |
| Molecular Weight (g/mol) | 452.363 |
| MDL Number | MFCD00131611 |
| SMILES | C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | acid orange 10,wool orange 2g,orange g,c.i. acid orange 10,c.i. orange g,c.i. food orange 4,light orange g,colacid orange g,dolkwal orange g,hexacol orange g |
| IUPAC Name | disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate |
| InChI Key | AEOVEGJBKQQFOP-DDVLFWKVSA-L |
| Molecular Formula | C16H10N2Na2O7S2 |
N-(1-Naphthyl)ethylenediamine dihydrochloride, ACS
CAS: 1465-25-4 Molecular Formula: C12H16Cl2N2 Molecular Weight (g/mol): 259.174 MDL Number: MFCD00012556 InChI Key: MZNYWPRCVDMOJG-UHFFFAOYSA-N Synonym: n-1-naphthyl ethylenediamine dihydrochloride,n1-naphthalen-1-yl ethane-1,2-diamine dihydrochloride,marshall's reagent,n-1-naphthylethylenediamine dihydrochloride,ccris 425,unii-h734599kjl,1,2-ethanediamine, n-1-naphthalenyl-, dihydrochloride,2-1-naphthylamino ethylamine 2hcl,bratton-marshall reagent,n-1-naphthalenyl-1,2-ethanediamine dihydrochloride PubChem CID: 15106 ChEBI: CHEBI:53452 IUPAC Name: N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride SMILES: C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl
| PubChem CID | 15106 |
|---|---|
| CAS | 1465-25-4 |
| Molecular Weight (g/mol) | 259.174 |
| ChEBI | CHEBI:53452 |
| MDL Number | MFCD00012556 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl |
| Synonym | n-1-naphthyl ethylenediamine dihydrochloride,n1-naphthalen-1-yl ethane-1,2-diamine dihydrochloride,marshall's reagent,n-1-naphthylethylenediamine dihydrochloride,ccris 425,unii-h734599kjl,1,2-ethanediamine, n-1-naphthalenyl-, dihydrochloride,2-1-naphthylamino ethylamine 2hcl,bratton-marshall reagent,n-1-naphthalenyl-1,2-ethanediamine dihydrochloride |
| IUPAC Name | N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride |
| InChI Key | MZNYWPRCVDMOJG-UHFFFAOYSA-N |
| Molecular Formula | C12H16Cl2N2 |
L-Carnitine, 98+%
CAS: 541-15-1 Molecular Formula: C7H15NO3 Molecular Weight (g/mol): 161.201 MDL Number: MFCD00038747 InChI Key: PHIQHXFUZVPYII-ZCFIWIBFSA-N Synonym: l-carnitine,levocarnitine,vitamin bt,r-carnitine,carnitor,--carnitine,carnitine,--l-carnitine,karnitin,l---carnitine PubChem CID: 10917 ChEBI: CHEBI:16347 IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate SMILES: C[N+](C)(C)CC(CC(=O)[O-])O
| PubChem CID | 10917 |
|---|---|
| CAS | 541-15-1 |
| Molecular Weight (g/mol) | 161.201 |
| ChEBI | CHEBI:16347 |
| MDL Number | MFCD00038747 |
| SMILES | C[N+](C)(C)CC(CC(=O)[O-])O |
| Synonym | l-carnitine,levocarnitine,vitamin bt,r-carnitine,carnitor,--carnitine,carnitine,--l-carnitine,karnitin,l---carnitine |
| IUPAC Name | (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate |
| InChI Key | PHIQHXFUZVPYII-ZCFIWIBFSA-N |
| Molecular Formula | C7H15NO3 |
Tetrabutylammonium bromide, 99+%
CAS: 1643-19-2 Molecular Formula: C16H36BrN Molecular Weight (g/mol): 322.36 MDL Number: MFCD00011633 InChI Key: JRMUNVKIHCOMHV-UHFFFAOYSA-M Synonym: tetrabutylammonium bromide,tetra-n-butylammonium bromide,tbab,tetrabutylazanium bromide,tetrabutyl ammonium bromide,tetrabutyl-ammonium bromide,aliquat 100,tbabr,ipc-tba-br,unii-vjz168i98r PubChem CID: 74236 ChEBI: CHEBI:51993 IUPAC Name: tetrabutylazanium;bromide SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
| PubChem CID | 74236 |
|---|---|
| CAS | 1643-19-2 |
| Molecular Weight (g/mol) | 322.36 |
| ChEBI | CHEBI:51993 |
| MDL Number | MFCD00011633 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.[Br-] |
| Synonym | tetrabutylammonium bromide,tetra-n-butylammonium bromide,tbab,tetrabutylazanium bromide,tetrabutyl ammonium bromide,tetrabutyl-ammonium bromide,aliquat 100,tbabr,ipc-tba-br,unii-vjz168i98r |
| IUPAC Name | tetrabutylazanium;bromide |
| InChI Key | JRMUNVKIHCOMHV-UHFFFAOYSA-M |
| Molecular Formula | C16H36BrN |
2,3-Butanedione monoxime, 99%
CAS: 57-71-6 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.11 MDL Number: MFCD00002116 InChI Key: FSEUPUDHEBLWJY-HWKANZROSA-N Synonym: 2,3-butanedione monoxime,diacetyl monoxime,diacetylmonoxime,biacetyl monoxime,biacetyl monooxime,diacetyl monooxime,diacetylmonooxime,2-oximino-3-butanone,3-oximino-2-butanone,2,3-butanedione-2-monoxime PubChem CID: 6409633 ChEBI: CHEBI:4480 IUPAC Name: (3E)-3-hydroxyiminobutan-2-one SMILES: CC(=O)C(\C)=N\O
| PubChem CID | 6409633 |
|---|---|
| CAS | 57-71-6 |
| Molecular Weight (g/mol) | 101.11 |
| ChEBI | CHEBI:4480 |
| MDL Number | MFCD00002116 |
| SMILES | CC(=O)C(\C)=N\O |
| Synonym | 2,3-butanedione monoxime,diacetyl monoxime,diacetylmonoxime,biacetyl monoxime,biacetyl monooxime,diacetyl monooxime,diacetylmonooxime,2-oximino-3-butanone,3-oximino-2-butanone,2,3-butanedione-2-monoxime |
| IUPAC Name | (3E)-3-hydroxyiminobutan-2-one |
| InChI Key | FSEUPUDHEBLWJY-HWKANZROSA-N |
| Molecular Formula | C4H7NO2 |
Thermo Scientific Chemicals Tartrazine, 89%, pure
CAS: 1934-21-0 Molecular Formula: C16H9N4Na3O9S2 Molecular Weight (g/mol): 534.35 MDL Number: MFCD00148908 InChI Key: UJMBCXLDXJUMFB-UHFFFAOYSA-K Synonym: tartrazine,yellow 5,aizen tartrazine,trisodium salt,food yellow 4,tartrazine FD&C yellow #5,c.i. acid yellow 23,atul tartrazine,erio tartrazine,kako tartrazine PubChem CID: 164825 IUPAC Name: trisodium;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate SMILES: C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
| PubChem CID | 164825 |
|---|---|
| CAS | 1934-21-0 |
| Molecular Weight (g/mol) | 534.35 |
| MDL Number | MFCD00148908 |
| SMILES | C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| Synonym | tartrazine,yellow 5,aizen tartrazine,trisodium salt,food yellow 4,tartrazine FD&C yellow #5,c.i. acid yellow 23,atul tartrazine,erio tartrazine,kako tartrazine |
| IUPAC Name | trisodium;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate |
| InChI Key | UJMBCXLDXJUMFB-UHFFFAOYSA-K |
| Molecular Formula | C16H9N4Na3O9S2 |
Tetrabutylammonium phosphate monobasic, 99%, HPLC grade
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CAS: 5574-97-0 Molecular Formula: C16H38NO4P Molecular Weight (g/mol): 339.46 MDL Number: MFCD00064526 InChI Key: ARRNBPCNZJXHRJ-UHFFFAOYSA-M Synonym: tetrabutylammonium dihydrogen phosphate,tetrabutylammonium phosphate,tetrabutylammonium dihydrogenphosphate,1-butanaminium, n,n,n-tributyl-, phosphate 1:1,tetra-n-butylammonium phosphate,tetrabutylazanium dihydrogen phosphate,dihydrogen phosphate; tetrabutylazanium,dihydrogen phosphate; tetrabutylammonium,tetrabutyl ammonium dihydrogen phosphate,tetrabutylammonium ion dihydrogenphosphate ion PubChem CID: 2735142 IUPAC Name: dihydrogen phosphate;tetrabutylazanium SMILES: OP(O)([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC
| PubChem CID | 2735142 |
|---|---|
| CAS | 5574-97-0 |
| Molecular Weight (g/mol) | 339.46 |
| MDL Number | MFCD00064526 |
| SMILES | OP(O)([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC |
| Synonym | tetrabutylammonium dihydrogen phosphate,tetrabutylammonium phosphate,tetrabutylammonium dihydrogenphosphate,1-butanaminium, n,n,n-tributyl-, phosphate 1:1,tetra-n-butylammonium phosphate,tetrabutylazanium dihydrogen phosphate,dihydrogen phosphate; tetrabutylazanium,dihydrogen phosphate; tetrabutylammonium,tetrabutyl ammonium dihydrogen phosphate,tetrabutylammonium ion dihydrogenphosphate ion |
| IUPAC Name | dihydrogen phosphate;tetrabutylazanium |
| InChI Key | ARRNBPCNZJXHRJ-UHFFFAOYSA-M |
| Molecular Formula | C16H38NO4P |
6-Benzylaminopurine, 99%
CAS: 1214-39-7 Molecular Formula: C12H11N5 Molecular Weight (g/mol): 225.26 MDL Number: MFCD00005572 InChI Key: NWBJYWHLCVSVIJ-UHFFFAOYSA-N Synonym: 6-benzylaminopurine,benzyladenine,n6-benzyladenine,n-benzyladenine,n-benzyl-9h-purin-6-amine,6-benzyladenine,6-benzylamino purine,cytokinin b,adenine, n-benzyl,6-bap PubChem CID: 62389 ChEBI: CHEBI:29022 IUPAC Name: N-benzyl-7H-purin-6-amine SMILES: C(NC1=C2NC=NC2=NC=N1)C1=CC=CC=C1
| PubChem CID | 62389 |
|---|---|
| CAS | 1214-39-7 |
| Molecular Weight (g/mol) | 225.26 |
| ChEBI | CHEBI:29022 |
| MDL Number | MFCD00005572 |
| SMILES | C(NC1=C2NC=NC2=NC=N1)C1=CC=CC=C1 |
| Synonym | 6-benzylaminopurine,benzyladenine,n6-benzyladenine,n-benzyladenine,n-benzyl-9h-purin-6-amine,6-benzyladenine,6-benzylamino purine,cytokinin b,adenine, n-benzyl,6-bap |
| IUPAC Name | N-benzyl-7H-purin-6-amine |
| InChI Key | NWBJYWHLCVSVIJ-UHFFFAOYSA-N |
| Molecular Formula | C12H11N5 |
Choline Chloride, 99%
CAS: 67-48-1 Molecular Formula: C5H14ClNO Molecular Weight (g/mol): 139.62 MDL Number: MFCD00011721 InChI Key: SGMZJAMFUVOLNK-UHFFFAOYSA-M Synonym: choline chloride,hepacholine,biocolina,biocoline,lipotril,paresan,luridin chloride,choline hydrochloride,cholinium chloride,bilineurin chloride PubChem CID: 6209 ChEBI: CHEBI:133341 IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;chloride SMILES: [Cl-].C[N+](C)(C)CCO
| PubChem CID | 6209 |
|---|---|
| CAS | 67-48-1 |
| Molecular Weight (g/mol) | 139.62 |
| ChEBI | CHEBI:133341 |
| MDL Number | MFCD00011721 |
| SMILES | [Cl-].C[N+](C)(C)CCO |
| Synonym | choline chloride,hepacholine,biocolina,biocoline,lipotril,paresan,luridin chloride,choline hydrochloride,cholinium chloride,bilineurin chloride |
| IUPAC Name | 2-hydroxyethyl(trimethyl)azanium;chloride |
| InChI Key | SGMZJAMFUVOLNK-UHFFFAOYSA-M |
| Molecular Formula | C5H14ClNO |
2-Amino-2-methyl-1-propanol, 95%, may cont. ca 5% water
CAS: 124-68-5 Molecular Formula: C4H11NO Molecular Weight (g/mol): 89.14 MDL Number: MFCD00008051 InChI Key: CBTVGIZVANVGBH-UHFFFAOYSA-N Synonym: 2-amino-2-methyl-1-propanol,isobutanol-2-amine,1-propanol, 2-amino-2-methyl,amp regular,2-aminoisobutanol,aminomethylpropanol,2-amino-2-methylpropanol,2-methyl-2-aminopropanol,2-aminodimethylethanol,hydroxy-tert-butylamine PubChem CID: 11807 IUPAC Name: 2-amino-2-methylpropan-1-ol SMILES: CC(C)(N)CO
| PubChem CID | 11807 |
|---|---|
| CAS | 124-68-5 |
| Molecular Weight (g/mol) | 89.14 |
| MDL Number | MFCD00008051 |
| SMILES | CC(C)(N)CO |
| Synonym | 2-amino-2-methyl-1-propanol,isobutanol-2-amine,1-propanol, 2-amino-2-methyl,amp regular,2-aminoisobutanol,aminomethylpropanol,2-amino-2-methylpropanol,2-methyl-2-aminopropanol,2-aminodimethylethanol,hydroxy-tert-butylamine |
| IUPAC Name | 2-amino-2-methylpropan-1-ol |
| InChI Key | CBTVGIZVANVGBH-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO |
2-Amino-2-methyl-1-propanol, 99%
CAS: 124-68-5 Molecular Formula: C4H11NO Molecular Weight (g/mol): 89.14 MDL Number: MFCD00008051 InChI Key: CBTVGIZVANVGBH-UHFFFAOYSA-N Synonym: 2-amino-2-methyl-1-propanol,isobutanol-2-amine,1-propanol, 2-amino-2-methyl,amp regular,2-aminoisobutanol,aminomethylpropanol,2-amino-2-methylpropanol,2-methyl-2-aminopropanol,2-aminodimethylethanol,hydroxy-tert-butylamine PubChem CID: 11807 IUPAC Name: 2-amino-2-methylpropan-1-ol SMILES: CC(C)(N)CO
| PubChem CID | 11807 |
|---|---|
| CAS | 124-68-5 |
| Molecular Weight (g/mol) | 89.14 |
| MDL Number | MFCD00008051 |
| SMILES | CC(C)(N)CO |
| Synonym | 2-amino-2-methyl-1-propanol,isobutanol-2-amine,1-propanol, 2-amino-2-methyl,amp regular,2-aminoisobutanol,aminomethylpropanol,2-amino-2-methylpropanol,2-methyl-2-aminopropanol,2-aminodimethylethanol,hydroxy-tert-butylamine |
| IUPAC Name | 2-amino-2-methylpropan-1-ol |
| InChI Key | CBTVGIZVANVGBH-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO |
Myosmine, 98%, may contain up to 2% water
CAS: 532-12-7 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.193 MDL Number: MFCD00052019 InChI Key: DPNGWXJMIILTBS-UHFFFAOYSA-N Synonym: myosmine,3-3,4-dihydro-2h-pyrrol-5-yl pyridine,3-1-pyrrolin-2-yl pyridine,miosmine,unii-9o0a545w4l,3-4,5-dihydro-3h-pyrrol-2-yl-pyridine,2-3-pyridyl-1-pyrroline,3-2-pyrrolin-2-yl pyridine,pyridine, 3-3,4-dihydro-2h-pyrrol-5-yl,pyridine, 3-1-pyrrolin-2-yl PubChem CID: 442649 ChEBI: CHEBI:7051 IUPAC Name: 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine SMILES: C1CC(=NC1)C2=CN=CC=C2
| PubChem CID | 442649 |
|---|---|
| CAS | 532-12-7 |
| Molecular Weight (g/mol) | 146.193 |
| ChEBI | CHEBI:7051 |
| MDL Number | MFCD00052019 |
| SMILES | C1CC(=NC1)C2=CN=CC=C2 |
| Synonym | myosmine,3-3,4-dihydro-2h-pyrrol-5-yl pyridine,3-1-pyrrolin-2-yl pyridine,miosmine,unii-9o0a545w4l,3-4,5-dihydro-3h-pyrrol-2-yl-pyridine,2-3-pyridyl-1-pyrroline,3-2-pyrrolin-2-yl pyridine,pyridine, 3-3,4-dihydro-2h-pyrrol-5-yl,pyridine, 3-1-pyrrolin-2-yl |
| IUPAC Name | 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine |
| InChI Key | DPNGWXJMIILTBS-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2 |
N-1-Naphthylethylene Diamine Dihydrochloride, Certified AR for Analysis, Fisher Chemical™
CAS: 1465-25-4 Molecular Formula: C12H16Cl2N2 Molecular Weight (g/mol): 259.174 MDL Number: 12556 InChI Key: MZNYWPRCVDMOJG-UHFFFAOYSA-N Synonym: n-1-naphthyl ethylenediamine dihydrochloride,n1-naphthalen-1-yl ethane-1,2-diamine dihydrochloride,marshall's reagent,n-1-naphthylethylenediamine dihydrochloride,ccris 425,unii-h734599kjl,1,2-ethanediamine, n-1-naphthalenyl-, dihydrochloride,2-1-naphthylamino ethylamine 2hcl,bratton-marshall reagent,n-1-naphthalenyl-1,2-ethanediamine dihydrochloride PubChem CID: 15106 ChEBI: CHEBI:53452 IUPAC Name: N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride SMILES: C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl
| PubChem CID | 15106 |
|---|---|
| CAS | 1465-25-4 |
| Molecular Weight (g/mol) | 259.174 |
| ChEBI | CHEBI:53452 |
| MDL Number | 12556 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl |
| Synonym | n-1-naphthyl ethylenediamine dihydrochloride,n1-naphthalen-1-yl ethane-1,2-diamine dihydrochloride,marshall's reagent,n-1-naphthylethylenediamine dihydrochloride,ccris 425,unii-h734599kjl,1,2-ethanediamine, n-1-naphthalenyl-, dihydrochloride,2-1-naphthylamino ethylamine 2hcl,bratton-marshall reagent,n-1-naphthalenyl-1,2-ethanediamine dihydrochloride |
| IUPAC Name | N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride |
| InChI Key | MZNYWPRCVDMOJG-UHFFFAOYSA-N |
| Molecular Formula | C12H16Cl2N2 |
Thermo Scientific Chemicals Erioglaucine disodium salt, pure
CAS: 3844-45-9 Molecular Formula: C37H34N2Na2O9S3 Molecular Weight (g/mol): 792.84 MDL Number: MFCD00012141 InChI Key: SGHZXLIDFTYFHQ-UHFFFAOYSA-L Synonym: brilliant blue fcf,acid blue 9,erioglaucine disodium salt,brilliant blue,FD&C blue no. 1,erioglaucine,alphazurine fg,FD&C blue no.1,fenazo blue xi,japan blue 1 PubChem CID: 19700 ChEBI: CHEBI:82411 IUPAC Name: disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 19700 |
|---|---|
| CAS | 3844-45-9 |
| Molecular Weight (g/mol) | 792.84 |
| ChEBI | CHEBI:82411 |
| MDL Number | MFCD00012141 |
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | brilliant blue fcf,acid blue 9,erioglaucine disodium salt,brilliant blue,FD&C blue no. 1,erioglaucine,alphazurine fg,FD&C blue no.1,fenazo blue xi,japan blue 1 |
| IUPAC Name | disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate |
| InChI Key | SGHZXLIDFTYFHQ-UHFFFAOYSA-L |
| Molecular Formula | C37H34N2Na2O9S3 |