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Enamines

Organic compounds containing an amine group bonded to a carbon atom that is bonded to another carbon atom in a double bond. Enamines are nitrogen analogs of enols.

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1

Nimodipine, Thermo Scientific Chemicals

CAS: 66085-59-4 Molecular Formula: C21H26N2O7 Molecular Weight (g/mol): 418.45 MDL Number: MFCD00153848 InChI Key: UIAGMCDKSXEBJQ-UHFFFAOYNA-N Synonym: nimodipine,nimotop,periplum,nimodipino,nimodipinum,nymalize,admon,nimodipinum inn-latin,nimodipino inn-spanish,isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-m-nitrophenyl-3,5-pyridinedicarboxylate PubChem CID: 4497 ChEBI: CHEBI:7575 IUPAC Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC(C)C

PubChem CID 4497
CAS 66085-59-4
Molecular Weight (g/mol) 418.45
ChEBI CHEBI:7575
MDL Number MFCD00153848
SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC(C)C
Synonym nimodipine,nimotop,periplum,nimodipino,nimodipinum,nymalize,admon,nimodipinum inn-latin,nimodipino inn-spanish,isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-m-nitrophenyl-3,5-pyridinedicarboxylate
IUPAC Name 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key UIAGMCDKSXEBJQ-UHFFFAOYNA-N
Molecular Formula C21H26N2O7
2

Dimethyle4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 97%, Thermo Scientific™

CAS: 73257-47-3 Molecular Formula: C18H21NO5 Molecular Weight (g/mol): 331.368 MDL Number: MFCD00085027 InChI Key: IAXDEFZXLVTHLU-UHFFFAOYSA-N Synonym: dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate,3,5-dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate,dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate,maybridge1_007478,cbmicro_033161,1,4-dihydro-2,6-dimethyl-4-4-methoxyphenyl-3,5-pyridinedicarboxylic acid dimethyl ester,dimethyl 1,4-dihydro-4-4-methoxyphenyl-2,6-dimethylpyridine-3,5-dicarboxylate,dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxy late,3,5-pyridinedicarboxylic acid, 1,4-dihydro-4-4-methoxyphenyl-2,6-dimethyl-, dimethyl ester,3,5-pyridinedicarboxylicacid, 1,4-dihydro-4-4-methoxyphenyl-2,6-dimethyl-, 3,5-dimethyl ester PubChem CID: 614332 IUPAC Name: dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OC)C(=O)OC

PubChem CID 614332
CAS 73257-47-3
Molecular Weight (g/mol) 331.368
MDL Number MFCD00085027
SMILES CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OC)C(=O)OC
Synonym dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate,3,5-dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate,dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate,maybridge1_007478,cbmicro_033161,1,4-dihydro-2,6-dimethyl-4-4-methoxyphenyl-3,5-pyridinedicarboxylic acid dimethyl ester,dimethyl 1,4-dihydro-4-4-methoxyphenyl-2,6-dimethylpyridine-3,5-dicarboxylate,dimethyl 4-4-methoxyphenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxy late,3,5-pyridinedicarboxylic acid, 1,4-dihydro-4-4-methoxyphenyl-2,6-dimethyl-, dimethyl ester,3,5-pyridinedicarboxylicacid, 1,4-dihydro-4-4-methoxyphenyl-2,6-dimethyl-, 3,5-dimethyl ester
IUPAC Name dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key IAXDEFZXLVTHLU-UHFFFAOYSA-N
Molecular Formula C18H21NO5
3

Thermo Scientific Chemicals Potassium indigotrisulfonate

CAS: 67627-18-3 Molecular Formula: C16H7K3N2O11S3 Molecular Weight (g/mol): 616.71 MDL Number: MFCD00013160 InChI Key: XOSMXDUITYWYGR-JRYLAINFSA-K Synonym: potassium indigotrisulfonate,indigotrisulfonic acid tripotassium salt,indigotrisulfonate potassium salt,indigotrisulfonic acid potassium salt,unii-5zza8n0abt,5zza8n0abt,tripotassium indigotrisulfonate,tri-potassium indigotrisulfonate,tripotassium indigo-5,5',7-trisulfonate,tri-potassium indigo-5,5',7-trisulfonate PubChem CID: 6364606 IUPAC Name: tripotassium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate SMILES: [K+].[K+].[K+].[O-]S(=O)(=O)C1=CC=C2N\C(C(=O)C2=C1)=C1/NC2=C(C=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C1=O

EDGE
PubChem CID 6364606
CAS 67627-18-3
Molecular Weight (g/mol) 616.71
MDL Number MFCD00013160
SMILES [K+].[K+].[K+].[O-]S(=O)(=O)C1=CC=C2N\C(C(=O)C2=C1)=C1/NC2=C(C=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C1=O
Synonym potassium indigotrisulfonate,indigotrisulfonic acid tripotassium salt,indigotrisulfonate potassium salt,indigotrisulfonic acid potassium salt,unii-5zza8n0abt,5zza8n0abt,tripotassium indigotrisulfonate,tri-potassium indigotrisulfonate,tripotassium indigo-5,5',7-trisulfonate,tri-potassium indigo-5,5',7-trisulfonate
IUPAC Name tripotassium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate
InChI Key XOSMXDUITYWYGR-JRYLAINFSA-K
Molecular Formula C16H7K3N2O11S3
4

Thermo Scientific Chemicals Indigo carmine

CAS: 860-22-0 Molecular Formula: C16H8N2Na2O8S2 Molecular Weight (g/mol): 466.35 MDL Number: MFCD00005723 InChI Key: KHLVKKOJDHCJMG-QDBORUFSSA-L Synonym: indigo carmine,indigocarmine,acid blue 74,indigocarmin,indigotindisulfonate sodium,c.i. acid blue 74,food blue no. 2,amacid brilliant blue,c.i. food blue 1,fd&c blue no. 2 PubChem CID: 5284351 SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2N\C(C(=O)C2=C1)=C1\NC2=CC=C(C=C2C1=O)S([O-])(=O)=O

PubChem CID 5284351
CAS 860-22-0
Molecular Weight (g/mol) 466.35
MDL Number MFCD00005723
SMILES [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2N\C(C(=O)C2=C1)=C1\NC2=CC=C(C=C2C1=O)S([O-])(=O)=O
Synonym indigo carmine,indigocarmine,acid blue 74,indigocarmin,indigotindisulfonate sodium,c.i. acid blue 74,food blue no. 2,amacid brilliant blue,c.i. food blue 1,fd&c blue no. 2
InChI Key KHLVKKOJDHCJMG-QDBORUFSSA-L
Molecular Formula C16H8N2Na2O8S2
5

Thermo Scientific Chemicals 2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol, 98%

CAS: 14337-53-2 Molecular Formula: C15H17BrN4O Molecular Weight (g/mol): 349.23 MDL Number: MFCD00006255 InChI Key: LYVSIKOGJUDRBK-QGOAFFKASA-N Synonym: 2-5-bromo-2-pyridylazo-5-diethylamino phenol,2-5-bromopyridin-2-yl diazenyl-5-diethylamino phenol,bromo-padap,2-5-bromo-2-pyridylazo-5-diethylaminophenol,phenol, 2-5-bromo-2-pyridinyl azo-5-diethylamino,2-4-diethylamino-2-hydroxyphenylazo-5-bromopyridine,hnvcxdavehoibp-vhebqxmusa-n,2-5-bromo-2-pyridylazo-5-diethylamino-phenol,5-diethylamino-2-5-bromo 2-pyridyl diazenyl phenol,e-2-5-bromopyridin-2-yl diazenyl-5-diethylamino phenol PubChem CID: 5911417 IUPAC Name: (6E)-6-[(5-bromopyridin-2-yl)hydrazinylidene]-3-(diethylamino)cyclohexa-2,4-dien-1-one SMILES: CCN(CC)C1=CC(=O)\C(C=C1)=N\NC1=CC=C(Br)C=N1

PubChem CID 5911417
CAS 14337-53-2
Molecular Weight (g/mol) 349.23
MDL Number MFCD00006255
SMILES CCN(CC)C1=CC(=O)\C(C=C1)=N\NC1=CC=C(Br)C=N1
Synonym 2-5-bromo-2-pyridylazo-5-diethylamino phenol,2-5-bromopyridin-2-yl diazenyl-5-diethylamino phenol,bromo-padap,2-5-bromo-2-pyridylazo-5-diethylaminophenol,phenol, 2-5-bromo-2-pyridinyl azo-5-diethylamino,2-4-diethylamino-2-hydroxyphenylazo-5-bromopyridine,hnvcxdavehoibp-vhebqxmusa-n,2-5-bromo-2-pyridylazo-5-diethylamino-phenol,5-diethylamino-2-5-bromo 2-pyridyl diazenyl phenol,e-2-5-bromopyridin-2-yl diazenyl-5-diethylamino phenol
IUPAC Name (6E)-6-[(5-bromopyridin-2-yl)hydrazinylidene]-3-(diethylamino)cyclohexa-2,4-dien-1-one
InChI Key LYVSIKOGJUDRBK-QGOAFFKASA-N
Molecular Formula C15H17BrN4O
6

Thermo Scientific Chemicals Cilnidipine, 99%

CAS: 132203-70-4 Molecular Formula: C27H28N2O7 Molecular Weight (g/mol): 492.52 InChI Key: KJEBULYHNRNJTE-DHZHZOJONA-N PubChem CID: 5282138 ChEBI: CHEBI:31399

PubChem CID 5282138
CAS 132203-70-4
Molecular Weight (g/mol) 492.52
ChEBI CHEBI:31399
InChI Key KJEBULYHNRNJTE-DHZHZOJONA-N
Molecular Formula C27H28N2O7
7

Thermo Scientific Chemicals Nifedipine, 98+%

CAS: 21829-25-4 Molecular Formula: C17H18N2O6 Molecular Weight (g/mol): 346.34 MDL Number: MFCD00057326 InChI Key: HYIMSNHJOBLJNT-UHFFFAOYSA-N Synonym: nifedipine,procardia,adalat,procardia xl,adalat cc,cordipin,corinfar,fenihidine,citilat,oxcord PubChem CID: 4485 ChEBI: CHEBI:7565 IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC

PubChem CID 4485
CAS 21829-25-4
Molecular Weight (g/mol) 346.34
ChEBI CHEBI:7565
MDL Number MFCD00057326
SMILES COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC
Synonym nifedipine,procardia,adalat,procardia xl,adalat cc,cordipin,corinfar,fenihidine,citilat,oxcord
IUPAC Name dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key HYIMSNHJOBLJNT-UHFFFAOYSA-N
Molecular Formula C17H18N2O6
8

3-Amino-2-phenylindenone, 98%, Thermo Scientific™

CAS: 1947-47-3 Molecular Formula: C15H11NO Molecular Weight (g/mol): 221.259 MDL Number: MFCD00051614 InChI Key: HLEKBTIHDXNOQP-UHFFFAOYSA-N Synonym: 3-amino-2-phenyl-1h-inden-1-one,3-amino-2-phenylindenone,maybridge1_003093,acmc-1c032,3-amino-2-phenyl-inden-1-one,2-phenyl-3-amino-1h-indene-1-one,1h-inden-1-one,3-amino-2-phenyl,3-amino-2-phenyl-1h-inden-1-one, tech. PubChem CID: 291219 IUPAC Name: 3-amino-2-phenylinden-1-one SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N

PubChem CID 291219
CAS 1947-47-3
Molecular Weight (g/mol) 221.259
MDL Number MFCD00051614
SMILES C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N
Synonym 3-amino-2-phenyl-1h-inden-1-one,3-amino-2-phenylindenone,maybridge1_003093,acmc-1c032,3-amino-2-phenyl-inden-1-one,2-phenyl-3-amino-1h-indene-1-one,1h-inden-1-one,3-amino-2-phenyl,3-amino-2-phenyl-1h-inden-1-one, tech.
IUPAC Name 3-amino-2-phenylinden-1-one
InChI Key HLEKBTIHDXNOQP-UHFFFAOYSA-N
Molecular Formula C15H11NO
9

Ethyl 3-(4-fluoroanilino)crotonate, 97%, Thermo Scientific™

CAS: 18529-17-4 Molecular Formula: C12H14FNO2 Molecular Weight (g/mol): 223.247 MDL Number: MFCD00016720 InChI Key: BUDOLSNUNUYBLF-HJWRWDBZSA-N Synonym: ethyl 3-4-fluoroanilino crotonate,z-ethyl 3-4-fluorophenyl amino but-2-enoate,ethyl 2z-3-4-fluorophenyl amino but-2-enoate,3-4-fluorophenylamino but-2-enoic acid ethyl ester,ethyl z-3-4-fluoroanilino but-2-enoate,z-3-4-fluorophenylamino-2-butenoic acid ethyl ester PubChem CID: 5811492 IUPAC Name: ethyl (Z)-3-(4-fluoroanilino)but-2-enoate SMILES: CCOC(=O)C=C(C)NC1=CC=C(C=C1)F

PubChem CID 5811492
CAS 18529-17-4
Molecular Weight (g/mol) 223.247
MDL Number MFCD00016720
SMILES CCOC(=O)C=C(C)NC1=CC=C(C=C1)F
Synonym ethyl 3-4-fluoroanilino crotonate,z-ethyl 3-4-fluorophenyl amino but-2-enoate,ethyl 2z-3-4-fluorophenyl amino but-2-enoate,3-4-fluorophenylamino but-2-enoic acid ethyl ester,ethyl z-3-4-fluoroanilino but-2-enoate,z-3-4-fluorophenylamino-2-butenoic acid ethyl ester
IUPAC Name ethyl (Z)-3-(4-fluoroanilino)but-2-enoate
InChI Key BUDOLSNUNUYBLF-HJWRWDBZSA-N
Molecular Formula C12H14FNO2
10

4-(1-Cyclopenten-1-yl)morpholine, 96%, Thermo Scientific™

CAS: 936-52-7 Molecular Formula: C9H15NO Molecular Weight (g/mol): 153.225 MDL Number: MFCD00006162 InChI Key: VAPOFMGACKUWCI-UHFFFAOYSA-N Synonym: 1-morpholinocyclopentene,n-1-cyclopenten-1-yl morpholine,1-morpholino-1-cyclopentene,morpholine, 4-1-cyclopenten-1-yl,4-1-cyclopenten-1-yl morpholine,4-1-cyclopentenyl morpholine,1-n-morpholino cyclopentene,n-1-cyclopenten-1-yl-morpholine,4-cyclopent-1-en-1-yl morpholine PubChem CID: 70294 IUPAC Name: 4-(cyclopenten-1-yl)morpholine SMILES: C1CC=C(C1)N2CCOCC2

PubChem CID 70294
CAS 936-52-7
Molecular Weight (g/mol) 153.225
MDL Number MFCD00006162
SMILES C1CC=C(C1)N2CCOCC2
Synonym 1-morpholinocyclopentene,n-1-cyclopenten-1-yl morpholine,1-morpholino-1-cyclopentene,morpholine, 4-1-cyclopenten-1-yl,4-1-cyclopenten-1-yl morpholine,4-1-cyclopentenyl morpholine,1-n-morpholino cyclopentene,n-1-cyclopenten-1-yl-morpholine,4-cyclopent-1-en-1-yl morpholine
IUPAC Name 4-(cyclopenten-1-yl)morpholine
InChI Key VAPOFMGACKUWCI-UHFFFAOYSA-N
Molecular Formula C9H15NO
11

trans-2-[trans-2-(1,3,3-Trimethyl-2-indolinylidene)ethylidene]-1-indanone, 96%, Thermo Scientific™

CAS: 53704-23-7 Molecular Formula: C22H21NO Molecular Weight (g/mol): 315.416 MDL Number: MFCD06409584 InChI Key: RMZNRQVMHQVFHH-UHFFFAOYSA-N Synonym: 2e-2-2-2e-1,3,3-trimethylindol-2-ylidene ethylidene-3h-inden-1-one,2e-2-2e-2-1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene ethylidene indan-1-one,e-2-2-e-1,3,3-trimethylindolin-2-ylidene ethylidene-2,3-dihydro-1h-inden-1-one,trans-2-trans-2-1,3,3-trimethyl-2-indolinylidene ethylidene-1-indanone,e-2-e-2-1,3,3-trimethylindolin-2-ylidene ethylidene-2,3-dihydro-1h-inden-1-one,2-2-1,3,3-trimethylindolin-2-ylidene ethylidene-2,3-dihydro-1h-inden-1-one PubChem CID: 53426998 IUPAC Name: 2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one SMILES: CC1(C2=CC=CC=C2N(C1=CC=C3CC4=CC=CC=C4C3=O)C)C

PubChem CID 53426998
CAS 53704-23-7
Molecular Weight (g/mol) 315.416
MDL Number MFCD06409584
SMILES CC1(C2=CC=CC=C2N(C1=CC=C3CC4=CC=CC=C4C3=O)C)C
Synonym 2e-2-2-2e-1,3,3-trimethylindol-2-ylidene ethylidene-3h-inden-1-one,2e-2-2e-2-1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene ethylidene indan-1-one,e-2-2-e-1,3,3-trimethylindolin-2-ylidene ethylidene-2,3-dihydro-1h-inden-1-one,trans-2-trans-2-1,3,3-trimethyl-2-indolinylidene ethylidene-1-indanone,e-2-e-2-1,3,3-trimethylindolin-2-ylidene ethylidene-2,3-dihydro-1h-inden-1-one,2-2-1,3,3-trimethylindolin-2-ylidene ethylidene-2,3-dihydro-1h-inden-1-one
IUPAC Name 2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one
InChI Key RMZNRQVMHQVFHH-UHFFFAOYSA-N
Molecular Formula C22H21NO
12

Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate, 99%, Thermo Scientific™

CAS: 159660-85-2 Molecular Formula: C14H18N2O2 Molecular Weight (g/mol): 246.31 MDL Number: MFCD00216930 InChI Key: HLKWMBMESNOAMS-UHFFFAOYSA-N Synonym: methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate,1-benzyl-4-amino-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester,methyl 4-amino-1-benzyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate #,methyl 4-amino-1-benzyl-5,6-dihydro-2h-pyridine-3-carboxylate,3-pyridinecarboxylicacid, 4-amino-1,2,5,6-tetrahydro-1-phenylmethyl-, methyl ester,4-amino-1-benzyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester,pyridine-3-carboxylic acid, 1,2,5,6-tetrahydro-4-amino-1-benzyl-, methyl ester PubChem CID: 563385 IUPAC Name: methyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate SMILES: COC(=O)C1=C(CCN(C1)CC2=CC=CC=C2)N

PubChem CID 563385
CAS 159660-85-2
Molecular Weight (g/mol) 246.31
MDL Number MFCD00216930
SMILES COC(=O)C1=C(CCN(C1)CC2=CC=CC=C2)N
Synonym methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate,1-benzyl-4-amino-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester,methyl 4-amino-1-benzyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate #,methyl 4-amino-1-benzyl-5,6-dihydro-2h-pyridine-3-carboxylate,3-pyridinecarboxylicacid, 4-amino-1,2,5,6-tetrahydro-1-phenylmethyl-, methyl ester,4-amino-1-benzyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester,pyridine-3-carboxylic acid, 1,2,5,6-tetrahydro-4-amino-1-benzyl-, methyl ester
IUPAC Name methyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
InChI Key HLKWMBMESNOAMS-UHFFFAOYSA-N
Molecular Formula C14H18N2O2