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Aniline and substituted anilines

Organic compounds that consist of a phenyl group attached to an amino group; aniline is the simplest aromatic amine. Anilines with additional substitutions are included.
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1

Nalpha-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide 95.0+%, TCI America™

CAS: 95713-52-3 Molecular Formula: C9H9FN4O5 Molecular Weight (g/mol): 272.19 MDL Number: MFCD00042049 InChI Key: NEPLBHLFDJOJGP-BYPYZUCNSA-N Synonym: marfey's reagent,s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,2s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,n-2,4-dinitro-5-fluorophenyl-l-alaninamide,2s-2-5-fluoro-2,4-dinitroanilino propanamide,propanamide, 2-5-fluoro-2,4-dinitrophenyl amino-, 2s,nalpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,n-alpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,fdaa,1-fd-aa PubChem CID: 5486955 IUPAC Name: (2S)-2-[(5-fluoro-2,4-dinitrophenyl)amino]propanamide SMILES: C[C@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O

PubChem CID 5486955
CAS 95713-52-3
Molecular Weight (g/mol) 272.19
MDL Number MFCD00042049
SMILES C[C@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O
Synonym marfey's reagent,s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,2s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,n-2,4-dinitro-5-fluorophenyl-l-alaninamide,2s-2-5-fluoro-2,4-dinitroanilino propanamide,propanamide, 2-5-fluoro-2,4-dinitrophenyl amino-, 2s,nalpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,n-alpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,fdaa,1-fd-aa
IUPAC Name (2S)-2-[(5-fluoro-2,4-dinitrophenyl)amino]propanamide
InChI Key NEPLBHLFDJOJGP-BYPYZUCNSA-N
Molecular Formula C9H9FN4O5
2

o-Anisidine Hydrochloride 99.0+%, TCI America™

CAS: 134-29-2 Molecular Formula: C7H10ClNO Molecular Weight (g/mol): 159.613 MDL Number: MFCD00054334 InChI Key: XCZCWGVXRBJCCD-UHFFFAOYSA-N Synonym: 2-Methoxyaniline Hydrochloride PubChem CID: 8638 IUPAC Name: 2-methoxyaniline;hydrochloride SMILES: COC1=CC=CC=C1N.Cl

PubChem CID 8638
CAS 134-29-2
Molecular Weight (g/mol) 159.613
MDL Number MFCD00054334
SMILES COC1=CC=CC=C1N.Cl
Synonym 2-Methoxyaniline Hydrochloride
IUPAC Name 2-methoxyaniline;hydrochloride
InChI Key XCZCWGVXRBJCCD-UHFFFAOYSA-N
Molecular Formula C7H10ClNO
3

Nepsilon-(2,4-Dinitrophenyl)-L-lysine Hydrochloride 98.0+%, TCI America™

CAS: 14401-10-6 Molecular Formula: C12H16ClN4O6 Molecular Weight (g/mol): 347.73 MDL Number: MFCD00036383 InChI Key: FJDUWQCVTQNLPA-UHFFFAOYNA-N Synonym: Nepsilon-Dnp-L-lysine Hydrochloride, H-Lys(Dnp)-OH.HCl PubChem CID: 22872935 IUPAC Name: 2-amino-6-[(2,4-dinitrophenyl)amino]hexanoic acid hydrochloridyl SMILES: [Cl].NC(CCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

PubChem CID 22872935
CAS 14401-10-6
Molecular Weight (g/mol) 347.73
MDL Number MFCD00036383
SMILES [Cl].NC(CCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Synonym Nepsilon-Dnp-L-lysine Hydrochloride, H-Lys(Dnp)-OH.HCl
IUPAC Name 2-amino-6-[(2,4-dinitrophenyl)amino]hexanoic acid hydrochloridyl
InChI Key FJDUWQCVTQNLPA-UHFFFAOYNA-N
Molecular Formula C12H16ClN4O6
4

4-Methoxybenzenediazonium Tetrafluoroborate 98.0+%, TCI America™

CAS: 459-64-3 Molecular Formula: C7H7BF4N2O Molecular Weight (g/mol): 221.95 MDL Number: MFCD00011897 InChI Key: CACFTKIREZJSIG-UHFFFAOYSA-J Synonym: 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide PubChem CID: 517233 IUPAC Name: boron(3+) 4-methoxybenzene-1-diazonium tetrafluoride SMILES: [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N

PubChem CID 517233
CAS 459-64-3
Molecular Weight (g/mol) 221.95
MDL Number MFCD00011897
SMILES [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N
Synonym 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide
IUPAC Name boron(3+) 4-methoxybenzene-1-diazonium tetrafluoride
InChI Key CACFTKIREZJSIG-UHFFFAOYSA-J
Molecular Formula C7H7BF4N2O
5

o-Dianisidine 98.0+%, TCI America™

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

PubChem CID 8411
CAS 119-90-4
Molecular Weight (g/mol) 244.294
ChEBI CHEBI:82321
MDL Number MFCD00008372
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
6

N-(2,4-Dinitrophenyl)-L-serine 98.0+%, TCI America™

CAS: 1655-64-7 Molecular Formula: C9H9N3O7 Molecular Weight (g/mol): 271.185 MDL Number: MFCD00038098 InChI Key: SBQZBOCQYMVLTC-ZETCQYMHSA-N Synonym: n-2,4-dinitrophenyl-l-serine,dnp-ser,n-dnp-l-serine,2s-2-2,4-dinitrophenyl amino-3-hydroxypropanoic acid,1oau,serine, n-2,4-dinitrophenyl-, dl,dnp-ser-oh,ser-dnf,n-2-4-dnp-l-serine,n-2,4-dnp-l-serine PubChem CID: 96800 ChEBI: CHEBI:53084 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O

PubChem CID 96800
CAS 1655-64-7
Molecular Weight (g/mol) 271.185
ChEBI CHEBI:53084
MDL Number MFCD00038098
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O
Synonym n-2,4-dinitrophenyl-l-serine,dnp-ser,n-dnp-l-serine,2s-2-2,4-dinitrophenyl amino-3-hydroxypropanoic acid,1oau,serine, n-2,4-dinitrophenyl-, dl,dnp-ser-oh,ser-dnf,n-2-4-dnp-l-serine,n-2,4-dnp-l-serine
InChI Key SBQZBOCQYMVLTC-ZETCQYMHSA-N
Molecular Formula C9H9N3O7
8

p-Anisidine Hydrochloride 99.0+%, TCI America™

CAS: 20265-97-8 Molecular Formula: C7H10ClNO Molecular Weight (g/mol): 159.613 MDL Number: MFCD00036388 InChI Key: VQYJLACQFYZHCO-UHFFFAOYSA-N Synonym: p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride PubChem CID: 2734956 IUPAC Name: 4-methoxyaniline;hydrochloride SMILES: COC1=CC=C(C=C1)N.Cl

PubChem CID 2734956
CAS 20265-97-8
Molecular Weight (g/mol) 159.613
MDL Number MFCD00036388
SMILES COC1=CC=C(C=C1)N.Cl
Synonym p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride
IUPAC Name 4-methoxyaniline;hydrochloride
InChI Key VQYJLACQFYZHCO-UHFFFAOYSA-N
Molecular Formula C7H10ClNO
9

N-(2,4-Dinitrophenyl)glycine 98.0+%, TCI America™

CAS: 1084-76-0 Molecular Formula: C8H7N3O6 Molecular Weight (g/mol): 241.159 MDL Number: MFCD00024400 InChI Key: RQPREKYEHBAOAR-UHFFFAOYSA-N Synonym: N-Dnp-glycine, Dnp-Gly-OH PubChem CID: 14135 IUPAC Name: 2-(2,4-dinitroanilino)acetic acid SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)O

PubChem CID 14135
CAS 1084-76-0
Molecular Weight (g/mol) 241.159
MDL Number MFCD00024400
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)O
Synonym N-Dnp-glycine, Dnp-Gly-OH
IUPAC Name 2-(2,4-dinitroanilino)acetic acid
InChI Key RQPREKYEHBAOAR-UHFFFAOYSA-N
Molecular Formula C8H7N3O6
10

N-(2,4-Dinitrophenyl)-6-aminohexanoic Acid 95.0+%, TCI America™

CAS: 10466-72-5 Molecular Formula: C12H15N3O6 Molecular Weight (g/mol): 297.27 MDL Number: MFCD00038470 InChI Key: ZYUWUKIAUDIXCQ-UHFFFAOYSA-N Synonym: N-Dnp-6-aminohexanoic Acid PubChem CID: 96812 ChEBI: CHEBI:53698 IUPAC Name: 6-[(2,4-dinitrophenyl)amino]hexanoic acid SMILES: OC(=O)CCCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

PubChem CID 96812
CAS 10466-72-5
Molecular Weight (g/mol) 297.27
ChEBI CHEBI:53698
MDL Number MFCD00038470
SMILES OC(=O)CCCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym N-Dnp-6-aminohexanoic Acid
IUPAC Name 6-[(2,4-dinitrophenyl)amino]hexanoic acid
InChI Key ZYUWUKIAUDIXCQ-UHFFFAOYSA-N
Molecular Formula C12H15N3O6
11

p-Anisidine-3-sulfonic Acid 98.0+%, TCI America™

CAS: 6470-17-3 Molecular Formula: C7H9NO4S Molecular Weight (g/mol): 203.212 MDL Number: MFCD00035760 InChI Key: JXZGTFLJFKLVAX-UHFFFAOYSA-N Synonym: 4-Aminoanisole-2-sulfonic Acid, 3-Amino-6-methoxybenzenesulfonic Acid, 4-Methoxyaniline-3-sulfonic Acid PubChem CID: 80945 IUPAC Name: 5-amino-2-methoxybenzenesulfonic acid SMILES: COC1=C(C=C(C=C1)N)S(=O)(=O)O

PubChem CID 80945
CAS 6470-17-3
Molecular Weight (g/mol) 203.212
MDL Number MFCD00035760
SMILES COC1=C(C=C(C=C1)N)S(=O)(=O)O
Synonym 4-Aminoanisole-2-sulfonic Acid, 3-Amino-6-methoxybenzenesulfonic Acid, 4-Methoxyaniline-3-sulfonic Acid
IUPAC Name 5-amino-2-methoxybenzenesulfonic acid
InChI Key JXZGTFLJFKLVAX-UHFFFAOYSA-N
Molecular Formula C7H9NO4S
12

Sodium 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonate 98.0+%, TCI America™

CAS: 82692-96-4 Molecular Formula: C12H22NNaO7S Molecular Weight (g/mol): 347.36 MDL Number: MFCD09261431 InChI Key: PNGLEYLFMHGIQO-UHFFFAOYNA-M Synonym: 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonic Acid Sodium Salt, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methoxyaniline Sodium Salt, ADOS PubChem CID: 71307074 IUPAC Name: sodium 3-[ethyl(3-methoxyphenyl)amino]-2-hydroxypropane-1-sulfonate dihydrate SMILES: O.O.[Na+].CCN(CC(O)CS([O-])(=O)=O)C1=CC(OC)=CC=C1

PubChem CID 71307074
CAS 82692-96-4
Molecular Weight (g/mol) 347.36
MDL Number MFCD09261431
SMILES O.O.[Na+].CCN(CC(O)CS([O-])(=O)=O)C1=CC(OC)=CC=C1
Synonym 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonic Acid Sodium Salt, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methoxyaniline Sodium Salt, ADOS
IUPAC Name sodium 3-[ethyl(3-methoxyphenyl)amino]-2-hydroxypropane-1-sulfonate dihydrate
InChI Key PNGLEYLFMHGIQO-UHFFFAOYNA-M
Molecular Formula C12H22NNaO7S
13
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o-Dianisidine, 98+%

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

PubChem CID 8411
CAS 119-90-4
Molecular Weight (g/mol) 244.294
ChEBI CHEBI:82321
MDL Number MFCD00008372
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
14

2-Bromoaniline Hydrochloride 97.0+%, TCI America™

CAS: 94718-79-3 Molecular Formula: C6H7BrClN Molecular Weight (g/mol): 208.483 MDL Number: MFCD00060215 InChI Key: UDIKHQMWHQJPNT-UHFFFAOYSA-N PubChem CID: 12211864 IUPAC Name: 2-bromoaniline;hydrochloride SMILES: C1=CC=C(C(=C1)N)Br.Cl

PubChem CID 12211864
CAS 94718-79-3
Molecular Weight (g/mol) 208.483
MDL Number MFCD00060215
SMILES C1=CC=C(C(=C1)N)Br.Cl
IUPAC Name 2-bromoaniline;hydrochloride
InChI Key UDIKHQMWHQJPNT-UHFFFAOYSA-N
Molecular Formula C6H7BrClN
15

2-Methoxyphenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 6971-45-5 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00035456 InChI Key: HECSHXUNOVTAIJ-UHFFFAOYSA-N Synonym: 2-Hydrazinoanisole Hydrochloride PubChem CID: 2849445 IUPAC Name: (2-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=CC=C1NN.Cl

PubChem CID 2849445
CAS 6971-45-5
Molecular Weight (g/mol) 174.628
MDL Number MFCD00035456
SMILES COC1=CC=CC=C1NN.Cl
Synonym 2-Hydrazinoanisole Hydrochloride
IUPAC Name (2-methoxyphenyl)hydrazine;hydrochloride
InChI Key HECSHXUNOVTAIJ-UHFFFAOYSA-N
Molecular Formula C7H11ClN2O