Organoheterocyclic compounds
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epsilon-Caprolactone monomer, 99%
CAS: 502-44-3 MDL Number: MFCD00003267 InChI Key: PAPBSGBWRJIAAV-UHFFFAOYSA-N Synonym: 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 IUPAC Name: oxepan-2-one SMILES: C1CCC(=O)OCC1
| PubChem CID | 10401 |
|---|---|
| CAS | 502-44-3 |
| ChEBI | CHEBI:17915 |
| MDL Number | MFCD00003267 |
| SMILES | C1CCC(=O)OCC1 |
| Synonym | 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane |
| IUPAC Name | oxepan-2-one |
| InChI Key | PAPBSGBWRJIAAV-UHFFFAOYSA-N |
N-Acryloxysuccinimide, 99%
CAS: 38862-24-7 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.14 MDL Number: MFCD00078261 InChI Key: YXMISKNUHHOXFT-UHFFFAOYSA-N Synonym: 2,5-dioxopyrrolidin-1-yl acrylate,n-acryloxysuccinimide,n-succinimidyl acrylate,acrylic acid n-hydroxysuccinimide ester,1-acryloyloxy-2,5-pyrrolidinedione,n-acryloyloxysuccinimide,2,5-pyrrolidinedione, 1-1-oxo-2-propenyl oxy,2,5-dioxopyrrolidin-1-yl prop-2-enoate,poly n-acryloxysuccinimide PubChem CID: 181508 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) prop-2-enoate SMILES: C=CC(=O)ON1C(=O)CCC1=O
| PubChem CID | 181508 |
|---|---|
| CAS | 38862-24-7 |
| Molecular Weight (g/mol) | 169.14 |
| MDL Number | MFCD00078261 |
| SMILES | C=CC(=O)ON1C(=O)CCC1=O |
| Synonym | 2,5-dioxopyrrolidin-1-yl acrylate,n-acryloxysuccinimide,n-succinimidyl acrylate,acrylic acid n-hydroxysuccinimide ester,1-acryloyloxy-2,5-pyrrolidinedione,n-acryloyloxysuccinimide,2,5-pyrrolidinedione, 1-1-oxo-2-propenyl oxy,2,5-dioxopyrrolidin-1-yl prop-2-enoate,poly n-acryloxysuccinimide |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) prop-2-enoate |
| InChI Key | YXMISKNUHHOXFT-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO4 |
9-Hydroxyxanthene, 97+%
CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
| PubChem CID | 72861 |
|---|---|
| CAS | 90-46-0 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00005057 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O |
| Synonym | 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol |
| IUPAC Name | 9H-xanthen-9-ol |
| InChI Key | JFRMYMMIJXLMBB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH
CAS: 88-12-0 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O
| PubChem CID | 6917 |
|---|---|
| CAS | 88-12-0 |
| Molecular Weight (g/mol) | 111.14 |
| ChEBI | CHEBI:82551 |
| MDL Number | MFCD00003197 |
| SMILES | C=CN1CCCC1=O |
| Synonym | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO |
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%
CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734174 |
|---|---|
| CAS | 174501-64-5 |
| Molecular Weight (g/mol) | 284.19 |
| MDL Number | MFCD03093295 |
| SMILES | F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate |
| InChI Key | IXQYBUDWDLYNMA-UHFFFAOYSA-N |
| Molecular Formula | C8H15F6N2P |
Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
| PubChem CID | 6202 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.26 |
| ChEBI | CHEBI:49105 |
| MDL Number | MFCD00012780 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H17ClN4OS·HCl |
Thermo Scientific Chemicals Cinchonine, 98+%
CAS: 118-10-5 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00064372 InChI Key: KMPWYEUPVWOPIM-FRYPIZGFNA-N Synonym: +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol PubChem CID: 21862290 IUPAC Name: [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol SMILES: [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C
| PubChem CID | 21862290 |
|---|---|
| CAS | 118-10-5 |
| Molecular Weight (g/mol) | 294.40 |
| MDL Number | MFCD00064372 |
| SMILES | [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C |
| Synonym | +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol |
| IUPAC Name | [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol |
| InChI Key | KMPWYEUPVWOPIM-FRYPIZGFNA-N |
| Molecular Formula | C19H22N2O |
Quinine, 98+%, anhydrous
CAS: 130-95-0 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00198096 InChI Key: LOUPRKONTZGTKE-ZCXAXGJJNA-N Synonym: 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol PubChem CID: 129316724 IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol SMILES: [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
| PubChem CID | 129316724 |
|---|---|
| CAS | 130-95-0 |
| Molecular Weight (g/mol) | 324.42 |
| MDL Number | MFCD00198096 |
| SMILES | [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C |
| Synonym | 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol |
| IUPAC Name | (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol |
| InChI Key | LOUPRKONTZGTKE-ZCXAXGJJNA-N |
| Molecular Formula | C20H24N2O2 |
3-Aminopyridine, 99%
CAS: 462-08-8 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00006400 InChI Key: CUYKNJBYIJFRCU-UHFFFAOYSA-N Synonym: 3-aminopyridine,3-pyridinamine,3-pyridylamine,pyridin-3-ylamine,m-aminopyridine,amino-3 pyridine,pyridine, 3-amino,3-amino pyridine,beta-aminopyridine,amino-3-pyridine PubChem CID: 10009 IUPAC Name: pyridin-3-amine SMILES: NC1=CC=CN=C1
| PubChem CID | 10009 |
|---|---|
| CAS | 462-08-8 |
| Molecular Weight (g/mol) | 94.12 |
| MDL Number | MFCD00006400 |
| SMILES | NC1=CC=CN=C1 |
| Synonym | 3-aminopyridine,3-pyridinamine,3-pyridylamine,pyridin-3-ylamine,m-aminopyridine,amino-3 pyridine,pyridine, 3-amino,3-amino pyridine,beta-aminopyridine,amino-3-pyridine |
| IUPAC Name | pyridin-3-amine |
| InChI Key | CUYKNJBYIJFRCU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
N,N'-Disuccinimidyl carbonate, 98%
CAS: 74124-79-1 Molecular Formula: C9H8N2O7 Molecular Weight (g/mol): 256.16 MDL Number: MFCD00009767 InChI Key: PFYXSUNOLOJMDX-UHFFFAOYSA-N Synonym: n,n'-disuccinimidyl carbonate,bis 2,5-dioxopyrrolidin-1-yl carbonate,n,n'-disuccinimidylcarbonate,di succinimido carbonate,disuccinimidyl carbonate,di n-succinimidyl carbonate,n,n-disuccinimidyl carbonate,dsc,disuccinimido carbonate,pubchem12700 PubChem CID: 676246 IUPAC Name: bis(2,5-dioxopyrrolidin-1-yl) carbonate SMILES: C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O
| PubChem CID | 676246 |
|---|---|
| CAS | 74124-79-1 |
| Molecular Weight (g/mol) | 256.16 |
| MDL Number | MFCD00009767 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O |
| Synonym | n,n'-disuccinimidyl carbonate,bis 2,5-dioxopyrrolidin-1-yl carbonate,n,n'-disuccinimidylcarbonate,di succinimido carbonate,disuccinimidyl carbonate,di n-succinimidyl carbonate,n,n-disuccinimidyl carbonate,dsc,disuccinimido carbonate,pubchem12700 |
| IUPAC Name | bis(2,5-dioxopyrrolidin-1-yl) carbonate |
| InChI Key | PFYXSUNOLOJMDX-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O7 |
Xanthine, 98%
CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2
| PubChem CID | 1188 |
|---|---|
| CAS | 69-89-6 |
| Molecular Weight (g/mol) | 152.11 |
| ChEBI | CHEBI:17712 |
| MDL Number | MFCD00078453 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
| Synonym | xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol |
| IUPAC Name | 3,7-dihydropurine-2,6-dione |
| InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
2,4-Dimethyl-3-ethylpyrrole, 96%
CAS: 517-22-6 MDL Number: MFCD00005222 InChI Key: ZEBBLOXDLGIMEG-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference PubChem CID: 10600 IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole SMILES: CCC1=C(NC=C1C)C
| PubChem CID | 10600 |
|---|---|
| CAS | 517-22-6 |
| MDL Number | MFCD00005222 |
| SMILES | CCC1=C(NC=C1C)C |
| Synonym | 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference |
| IUPAC Name | 3-ethyl-2,4-dimethyl-1H-pyrrole |
| InChI Key | ZEBBLOXDLGIMEG-UHFFFAOYSA-N |
Pyridine-N-oxide, 95%
CAS: 694-59-7 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.1 MDL Number: MFCD00006194 InChI Key: ILVXOBCQQYKLDS-UHFFFAOYSA-N Synonym: pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide PubChem CID: 12753 ChEBI: CHEBI:29136 IUPAC Name: 1-oxidopyridin-1-ium SMILES: C1=CC=[N+](C=C1)[O-]
| PubChem CID | 12753 |
|---|---|
| CAS | 694-59-7 |
| Molecular Weight (g/mol) | 95.1 |
| ChEBI | CHEBI:29136 |
| MDL Number | MFCD00006194 |
| SMILES | C1=CC=[N+](C=C1)[O-] |
| Synonym | pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide |
| IUPAC Name | 1-oxidopyridin-1-ium |
| InChI Key | ILVXOBCQQYKLDS-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
N-Hydroxysuccinimide, 98+%
CAS: 6066-82-6 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.09 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O
| PubChem CID | 80170 |
|---|---|
| CAS | 6066-82-6 |
| Molecular Weight (g/mol) | 115.09 |
| MDL Number | MFCD00005516 |
| SMILES | C1CC(=O)N(C1=O)O |
| Synonym | n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 |
| IUPAC Name | 1-hydroxypyrrolidine-2,5-dione |
| InChI Key | NQTADLQHYWFPDB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO3 |