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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

1-Dimethylamino-2-nitroethylene, 98%

CAS: 1190-92-7 Molecular Formula: C4H8N2O2 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00051519 InChI Key: JKOVQYWMFZTKMX-ONEGZZNKSA-N Synonym: 1-dimethylamino-2-nitroethylene,e-n,n-dimethyl-2-nitroethenamine,dimethyl e-2-nitroethenyl amine,n,n-dimethyl-2-nitroethenamine,1-dimethylamino-2-nitroethene,dimethyl 2-nitroethenyl amine,n,n-dimethyl-2-nitroethylenamine,n,n-dimethyl-2-nitroethyleneamine,n,n-dimethyl-n-2-nitrovinyl amine PubChem CID: 637928 IUPAC Name: (E)-N,N-dimethyl-2-nitroethenamine SMILES: CN(C)C=C[N+](=O)[O-]

PubChem CID 637928
CAS 1190-92-7
Molecular Weight (g/mol) 116.12
MDL Number MFCD00051519
SMILES CN(C)C=C[N+](=O)[O-]
Synonym 1-dimethylamino-2-nitroethylene,e-n,n-dimethyl-2-nitroethenamine,dimethyl e-2-nitroethenyl amine,n,n-dimethyl-2-nitroethenamine,1-dimethylamino-2-nitroethene,dimethyl 2-nitroethenyl amine,n,n-dimethyl-2-nitroethylenamine,n,n-dimethyl-2-nitroethyleneamine,n,n-dimethyl-n-2-nitrovinyl amine
IUPAC Name (E)-N,N-dimethyl-2-nitroethenamine
InChI Key JKOVQYWMFZTKMX-ONEGZZNKSA-N
Molecular Formula C4H8N2O2
2

Thermo Scientific™ Nisoldipine, 98%

CAS: 63675-72-9 Molecular Formula: C20H24N2O6 Molecular Weight (g/mol): 388.42 MDL Number: MFCD00478055 InChI Key: VKQFCGNPDRICFG-UHFFFAOYNA-N IUPAC Name: 3-methyl 5-(2-methylpropyl) 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)OCC(C)C

CAS 63675-72-9
Molecular Weight (g/mol) 388.42
MDL Number MFCD00478055
SMILES COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C
IUPAC Name 3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key VKQFCGNPDRICFG-UHFFFAOYNA-N
Molecular Formula C20H24N2O6
3

3-Aminocrotononitrile, 96%, mixture of cis and trans

CAS: 1118-61-2 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00008071,MFCD00008071 InChI Key: DELJOESCKJGFML-DUXPYHPUSA-N Synonym: 3-aminocrotononitrile,2z-3-aminobut-2-enenitrile,3-amino-2-butenenitrile,z-3-aminobut-2-enenitrile,beta-aminocrotononitrile,3-amino-2-butenonitrile,2-amino-1-propenecarbonitrile,3-amino-crotononitrile,beta-amino-crotononitrile,2z-3-amino-2-butenenitrile PubChem CID: 5325263 IUPAC Name: (Z)-3-aminobut-2-enenitrile SMILES: C\C(N)=C/C#N

PubChem CID 5325263
CAS 1118-61-2
Molecular Weight (g/mol) 82.11
MDL Number MFCD00008071,MFCD00008071
SMILES C\C(N)=C/C#N
Synonym 3-aminocrotononitrile,2z-3-aminobut-2-enenitrile,3-amino-2-butenenitrile,z-3-aminobut-2-enenitrile,beta-aminocrotononitrile,3-amino-2-butenonitrile,2-amino-1-propenecarbonitrile,3-amino-crotononitrile,beta-amino-crotononitrile,2z-3-amino-2-butenenitrile
IUPAC Name (Z)-3-aminobut-2-enenitrile
InChI Key DELJOESCKJGFML-DUXPYHPUSA-N
Molecular Formula C4H6N2
4

1-(1-Cyclohexen-1-yl)pyrrolidine, 97%

CAS: 1125-99-1 Molecular Formula: C10H17N Molecular Weight (g/mol): 151.253 MDL Number: MFCD00003163 InChI Key: KTZNVZJECQAMBV-UHFFFAOYSA-N Synonym: 1-pyrrolidino-1-cyclohexene,1-pyrrolidinocyclohexene,1-cyclohex-1-en-1-yl pyrrolidine,pyrrolidine, 1-1-cyclohexen-1-yl,1-1-cyclohexen-1-yl pyrrolidine,1-1-pyrrolidinyl cyclohexene,cyclohexanone pyrrolidine enamine,1-pyrrolidinyl-1-cyclohexene,n-1-cyclohexenyl pyrrolidine,1-1-cyclohexenyl pyrrolidine PubChem CID: 70768 IUPAC Name: 1-(cyclohexen-1-yl)pyrrolidine SMILES: C1CCC(=CC1)N2CCCC2

PubChem CID 70768
CAS 1125-99-1
Molecular Weight (g/mol) 151.253
MDL Number MFCD00003163
SMILES C1CCC(=CC1)N2CCCC2
Synonym 1-pyrrolidino-1-cyclohexene,1-pyrrolidinocyclohexene,1-cyclohex-1-en-1-yl pyrrolidine,pyrrolidine, 1-1-cyclohexen-1-yl,1-1-cyclohexen-1-yl pyrrolidine,1-1-pyrrolidinyl cyclohexene,cyclohexanone pyrrolidine enamine,1-pyrrolidinyl-1-cyclohexene,n-1-cyclohexenyl pyrrolidine,1-1-cyclohexenyl pyrrolidine
IUPAC Name 1-(cyclohexen-1-yl)pyrrolidine
InChI Key KTZNVZJECQAMBV-UHFFFAOYSA-N
Molecular Formula C10H17N
5

Amlodipine besylate, 98+%

CAS: 111470-99-6 Molecular Formula: C26H31ClN2O8S Molecular Weight (g/mol): 567.05 MDL Number: MFCD00887594 InChI Key: ZPBWCRDSRKPIDG-UHFFFAOYSA-N Synonym: amlodipine besylate,amlodipine besilate,cardiorex,amlodipine benzenesulfonate,istin,amdepin,amdipin,amlodin,amlogard,amlopin PubChem CID: 60496 ChEBI: CHEBI:2669 IUPAC Name: benzenesulfonic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O

PubChem CID 60496
CAS 111470-99-6
Molecular Weight (g/mol) 567.05
ChEBI CHEBI:2669
MDL Number MFCD00887594
SMILES CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
Synonym amlodipine besylate,amlodipine besilate,cardiorex,amlodipine benzenesulfonate,istin,amdepin,amdipin,amlodin,amlogard,amlopin
IUPAC Name benzenesulfonic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key ZPBWCRDSRKPIDG-UHFFFAOYSA-N
Molecular Formula C26H31ClN2O8S
6

Diaminomaleonitrile, 98%

CAS: 1187-42-4 Molecular Formula: C4H4N4 Molecular Weight (g/mol): 108.104 MDL Number: MFCD00001870 InChI Key: DPZSNGJNFHWQDC-ARJAWSKDSA-N Synonym: diaminomaleonitrile,2,3-diaminomaleonitrile,hydrogen cyanide tetramer,maleonitrile, diamino,ccris 921,2-butenedinitrile, 2,3-diamino-, 2z,2z-diaminobut-2-enedinitrile,2,3-diamino maleonitrile,2-butenedinitrile, 2,3-diamino-, z,z-2,3-diaminobut-2-enedinitrile PubChem CID: 2723951 IUPAC Name: (Z)-2,3-diaminobut-2-enedinitrile SMILES: C(#N)C(=C(C#N)N)N

PubChem CID 2723951
CAS 1187-42-4
Molecular Weight (g/mol) 108.104
MDL Number MFCD00001870
SMILES C(#N)C(=C(C#N)N)N
Synonym diaminomaleonitrile,2,3-diaminomaleonitrile,hydrogen cyanide tetramer,maleonitrile, diamino,ccris 921,2-butenedinitrile, 2,3-diamino-, 2z,2z-diaminobut-2-enedinitrile,2,3-diamino maleonitrile,2-butenedinitrile, 2,3-diamino-, z,z-2,3-diaminobut-2-enedinitrile
IUPAC Name (Z)-2,3-diaminobut-2-enedinitrile
InChI Key DPZSNGJNFHWQDC-ARJAWSKDSA-N
Molecular Formula C4H4N4
7

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
8

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
9

Ethyl 3-aminocrotonate, 98.5%

CAS: 7318-00-5 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD02730138 InChI Key: YPMPTULBFPFSEQ-PLNGDYQASA-N Synonym: z-ethyl 3-aminobut-2-enoate,ethyl 3-aminocrotonate,ethyl 3-aminobut-2-enoate,ethyl 2z-3-aminobut-2-enoate,2-butenoic acid, 3-amino-, ethyl ester, 2z,ethyl z-3-aminobut-2-enoate,ethyl 3-amino-2-butenoate,.beta.-aminocrotonic acid ethyl ester,2-butenoic acid, 3-amino-, ethyl ester,ethyl .beta.-aminocrotonate PubChem CID: 643756 IUPAC Name: ethyl (Z)-3-aminobut-2-enoate SMILES: CCOC(=O)C=C(C)N

PubChem CID 643756
CAS 7318-00-5
Molecular Weight (g/mol) 129.16
MDL Number MFCD02730138
SMILES CCOC(=O)C=C(C)N
Synonym z-ethyl 3-aminobut-2-enoate,ethyl 3-aminocrotonate,ethyl 3-aminobut-2-enoate,ethyl 2z-3-aminobut-2-enoate,2-butenoic acid, 3-amino-, ethyl ester, 2z,ethyl z-3-aminobut-2-enoate,ethyl 3-amino-2-butenoate,.beta.-aminocrotonic acid ethyl ester,2-butenoic acid, 3-amino-, ethyl ester,ethyl .beta.-aminocrotonate
IUPAC Name ethyl (Z)-3-aminobut-2-enoate
InChI Key YPMPTULBFPFSEQ-PLNGDYQASA-N
Molecular Formula C6H11NO2
10

2-Amino-1-cyclopentene-1-carbonitrile, 98%

CAS: 2941-23-3 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.144 MDL Number: MFCD00517551 InChI Key: NSMYBPIHVACKQG-UHFFFAOYSA-N Synonym: 2-amino-1-cyclopentene-1-carbonitrile,2-aminocyclopent-1-enecarbonitrile,2-aminocyclopent-1-ene-1-carbonitrile,1-amino-2-cyano-1-cyclopentene,1-cyclopentene-1-carbonitrile, 2-amino,unii-u54887v9pj,2-amino-cyclopent-1-enecarbonitrile,1-amino-2-cyanocyclopent-1-ene,1-amino-2-cyano-1,2-cyclopentene,1-cyclopentene-1-carbonitrile, 2-amino-6ci,7ci,8ci,9ci PubChem CID: 287275 IUPAC Name: 2-aminocyclopentene-1-carbonitrile SMILES: C1CC(=C(C1)N)C#N

PubChem CID 287275
CAS 2941-23-3
Molecular Weight (g/mol) 108.144
MDL Number MFCD00517551
SMILES C1CC(=C(C1)N)C#N
Synonym 2-amino-1-cyclopentene-1-carbonitrile,2-aminocyclopent-1-enecarbonitrile,2-aminocyclopent-1-ene-1-carbonitrile,1-amino-2-cyano-1-cyclopentene,1-cyclopentene-1-carbonitrile, 2-amino,unii-u54887v9pj,2-amino-cyclopent-1-enecarbonitrile,1-amino-2-cyanocyclopent-1-ene,1-amino-2-cyano-1,2-cyclopentene,1-cyclopentene-1-carbonitrile, 2-amino-6ci,7ci,8ci,9ci
IUPAC Name 2-aminocyclopentene-1-carbonitrile
InChI Key NSMYBPIHVACKQG-UHFFFAOYSA-N
Molecular Formula C6H8N2
11

5,5'-Indigodisulfonic Acid, Disodium Salt, BAKER™, J.T. Baker™

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 IUPAC Name: disodium (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonate 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
IUPAC Name disodium (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonate
InChI Key KHLVKKOJDHCJMG-QDBORUFSSA-L
Molecular Formula C16H8N2Na2O8S2
12

Felodipine

CAS: 72509-76-3 Molecular Formula: C18H19Cl2NO4 Molecular Weight (g/mol): 384.253 MDL Number: MFCD00868316 InChI Key: RZTAMFZIAATZDJ-UHFFFAOYSA-N Synonym: felodipine,plendil,flodil,munobal,renedil,dl-felodipine,perfudal,splendil,feloday,prevex PubChem CID: 3333 ChEBI: CHEBI:585948 IUPAC Name: 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C

PubChem CID 3333
CAS 72509-76-3
Molecular Weight (g/mol) 384.253
ChEBI CHEBI:585948
MDL Number MFCD00868316
SMILES CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
Synonym felodipine,plendil,flodil,munobal,renedil,dl-felodipine,perfudal,splendil,feloday,prevex
IUPAC Name 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key RZTAMFZIAATZDJ-UHFFFAOYSA-N
Molecular Formula C18H19Cl2NO4
13

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: 3,5-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 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key HYIMSNHJOBLJNT-UHFFFAOYSA-N
Molecular Formula C17H18N2O6
14

1-(1-Cyclohexen-1-yl)piperidine, 97%

CAS: 2981-10-4 MDL Number: MFCD00014643

CAS 2981-10-4
MDL Number MFCD00014643
15

Ethyl 3-aminocrotonate, 98+%

CAS: 626-34-6 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00008073,MFCD02730138 InChI Key: YPMPTULBFPFSEQ-UHFFFAOYSA-N Synonym: z-ethyl 3-aminobut-2-enoate,ethyl 3-aminocrotonate,ethyl 3-aminobut-2-enoate,ethyl 2z-3-aminobut-2-enoate,2-butenoic acid, 3-amino-, ethyl ester, 2z,ethyl z-3-aminobut-2-enoate,ethyl 3-amino-2-butenoate,.beta.-aminocrotonic acid ethyl ester,2-butenoic acid, 3-amino-, ethyl ester,ethyl .beta.-aminocrotonate PubChem CID: 643756 IUPAC Name: ethyl (Z)-3-aminobut-2-enoate SMILES: CCOC(=O)C=C(C)N

PubChem CID 643756
CAS 626-34-6
Molecular Weight (g/mol) 129.16
MDL Number MFCD00008073,MFCD02730138
SMILES CCOC(=O)C=C(C)N
Synonym z-ethyl 3-aminobut-2-enoate,ethyl 3-aminocrotonate,ethyl 3-aminobut-2-enoate,ethyl 2z-3-aminobut-2-enoate,2-butenoic acid, 3-amino-, ethyl ester, 2z,ethyl z-3-aminobut-2-enoate,ethyl 3-amino-2-butenoate,.beta.-aminocrotonic acid ethyl ester,2-butenoic acid, 3-amino-, ethyl ester,ethyl .beta.-aminocrotonate
IUPAC Name ethyl (Z)-3-aminobut-2-enoate
InChI Key YPMPTULBFPFSEQ-UHFFFAOYSA-N
Molecular Formula C6H11NO2