Aminotoluenes

Organic compounds that consist of an aryl amine substituted with a methyl group; their chemical structures are similar to aniline. These compounds are also known as toluidines.

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o-Tolidine dihydrochloride, ACS

CAS: 612-82-8 Molecular Formula: C14H18Cl2N2 Molecular Weight (g/mol): 285.212 MDL Number: MFCD00012960 InChI Key: LUKPNZHXJRJBAN-UHFFFAOYSA-N Synonym: 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl PubChem CID: 108938 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl

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Specifications

PubChem CID	108938
CAS	612-82-8
Molecular Weight (g/mol)	285.212
MDL Number	MFCD00012960
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl
Synonym	3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl
IUPAC Name	4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride
InChI Key	LUKPNZHXJRJBAN-UHFFFAOYSA-N
Molecular Formula	C14H18Cl2N2

m-Toluidine, 99%

CAS: 108-44-1 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Synonym: m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC=CC(N)=C1

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Specifications

PubChem CID	7934
CAS	108-44-1
Molecular Weight (g/mol)	107.16
MDL Number	MFCD00007808
SMILES	CC1=CC=CC(N)=C1
Synonym	m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine
IUPAC Name	3-methylaniline
InChI Key	JJYPMNFTHPTTDI-UHFFFAOYSA-N
Molecular Formula	C7H9N

o-Tolidine, 98%

CAS: 119-93-7 Molecular Formula: C14H16N2 Molecular Weight (g/mol): 212.296 MDL Number: MFCD00014773 InChI Key: NUIURNJTPRWVAP-UHFFFAOYSA-N Synonym: o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine PubChem CID: 8413 ChEBI: CHEBI:34320 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N

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Specifications

PubChem CID	8413
CAS	119-93-7
Molecular Weight (g/mol)	212.296
ChEBI	CHEBI:34320
MDL Number	MFCD00014773
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
Synonym	o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine
IUPAC Name	4-(4-amino-3-methylphenyl)-2-methylaniline
InChI Key	NUIURNJTPRWVAP-UHFFFAOYSA-N
Molecular Formula	C14H16N2

p-Toluidine, 99%, crystalline molten mass

CAS: 106-49-0 Molecular Formula: C₇H₉N Molecular Weight (g/mol): 107.16 InChI Key: RZXMPPFPUUCRFN-UHFFFAOYSA-N Synonym: p-toluidine,4-toluidine,p-tolylamine,4-aminotoluene,benzenamine, 4-methyl,4-methylbenzenamine,p-methylaniline,p-methylbenzenamine,p-toluidin,p-aminotoluene PubChem CID: 7813 ChEBI: CHEBI:37825 IUPAC Name: 4-methylaniline SMILES: CC1=CC=C(C=C1)N

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Specifications

PubChem CID	7813
CAS	106-49-0
Molecular Weight (g/mol)	107.16
ChEBI	CHEBI:37825
SMILES	CC1=CC=C(C=C1)N
Synonym	p-toluidine,4-toluidine,p-tolylamine,4-aminotoluene,benzenamine, 4-methyl,4-methylbenzenamine,p-methylaniline,p-methylbenzenamine,p-toluidin,p-aminotoluene
IUPAC Name	4-methylaniline
InChI Key	RZXMPPFPUUCRFN-UHFFFAOYSA-N
Molecular Formula	C₇H₉N

o-Tolidine, 95%, pract

CAS: 119-93-7 MDL Number: MFCD00014773 InChI Key: NUIURNJTPRWVAP-UHFFFAOYSA-N Synonym: o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine PubChem CID: 8413 ChEBI: CHEBI:34320 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N

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Specifications

PubChem CID	8413
CAS	119-93-7
ChEBI	CHEBI:34320
MDL Number	MFCD00014773
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
Synonym	o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine
IUPAC Name	4-(4-amino-3-methylphenyl)-2-methylaniline
InChI Key	NUIURNJTPRWVAP-UHFFFAOYSA-N

o-Toluidine, 99%

CAS: 95-53-4 Molecular Formula: C₇H₉N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N

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Specifications

PubChem CID	7242
CAS	95-53-4
Molecular Weight (g/mol)	107.15
ChEBI	CHEBI:66892
MDL Number	MFCD00007730
SMILES	CC1=CC=CC=C1N
Synonym	o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine
IUPAC Name	2-methylaniline
InChI Key	RNVCVTLRINQCPJ-UHFFFAOYSA-N
Molecular Formula	C₇H₉N

3-Bromo-4-methylaniline, 97%

CAS: 7745-91-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00134176 InChI Key: GRXMMIBZRMKADT-UHFFFAOYSA-N Synonym: 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline PubChem CID: 82187 IUPAC Name: 3-bromo-4-methylaniline SMILES: CC1=CC=C(N)C=C1Br

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Specifications

PubChem CID	82187
CAS	7745-91-7
Molecular Weight (g/mol)	186.05
MDL Number	MFCD00134176
SMILES	CC1=CC=C(N)C=C1Br
Synonym	3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline
IUPAC Name	3-bromo-4-methylaniline
InChI Key	GRXMMIBZRMKADT-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

N,N-Dimethyl-m-toluidine, 97+%

CAS: 121-72-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008305 InChI Key: CWOMTHDOJCARBY-UHFFFAOYSA-N Synonym: n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl PubChem CID: 8488 IUPAC Name: N,N,3-trimethylaniline SMILES: CN(C)C1=CC=CC(C)=C1

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Specifications

PubChem CID	8488
CAS	121-72-2
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00008305
SMILES	CN(C)C1=CC=CC(C)=C1
Synonym	n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl
IUPAC Name	N,N,3-trimethylaniline
InChI Key	CWOMTHDOJCARBY-UHFFFAOYSA-N
Molecular Formula	C9H13N

2-chloro-4-methylaniline, 98%

CAS: 615-65-6 Molecular Formula: C₇H₈ClN Molecular Weight (g/mol): 141.6 MDL Number: MFCD00007666 InChI Key: XGYLSRFSXKAYCR-UHFFFAOYSA-N Synonym: 2-chloro-p-toluidine,benzenamine, 2-chloro-4-methyl,4-amino-3-chlorotoluene,p-toluidine, 2-chloro,2-chlor-4-toluidin,4-methyl-2-chloroaniline,unii-k59isj2ko1,2-chlor-4-toluidin czech,ccris 2887,3-chloro-4-aminotoluene PubChem CID: 12007 IUPAC Name: 2-chloro-4-methylaniline SMILES: CC1=CC(=C(C=C1)N)Cl

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Specifications

PubChem CID	12007
CAS	615-65-6
Molecular Weight (g/mol)	141.6
MDL Number	MFCD00007666
SMILES	CC1=CC(=C(C=C1)N)Cl
Synonym	2-chloro-p-toluidine,benzenamine, 2-chloro-4-methyl,4-amino-3-chlorotoluene,p-toluidine, 2-chloro,2-chlor-4-toluidin,4-methyl-2-chloroaniline,unii-k59isj2ko1,2-chlor-4-toluidin czech,ccris 2887,3-chloro-4-aminotoluene
IUPAC Name	2-chloro-4-methylaniline
InChI Key	XGYLSRFSXKAYCR-UHFFFAOYSA-N
Molecular Formula	C₇H₈ClN

Methyl 3-amino-4-methylbenzoate, 97%

CAS: 18595-18-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00025206 InChI Key: YEPWCJHMSVABPQ-UHFFFAOYSA-N Synonym: 3-amino-4-methylbenzoic acid methyl ester,methyl 3-amino-4-methyl-benzoate,benzoic acid, 3-amino-4-methyl-, methyl ester,methyl 3-amino-p-toluate,methyl 4-methyl-3-aminobenzoate,3-amino-p-toluic acid methyl ester,3-amino-4-methyl-benzoic acid methyl ester,3-amino-4-methyl benzoic acid methyl ester,pubchem2351,pubchem10930 PubChem CID: 337778 IUPAC Name: methyl 3-amino-4-methylbenzoate SMILES: COC(=O)C1=CC=C(C)C(N)=C1

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Specifications

PubChem CID	337778
CAS	18595-18-1
Molecular Weight (g/mol)	165.19
MDL Number	MFCD00025206
SMILES	COC(=O)C1=CC=C(C)C(N)=C1
Synonym	3-amino-4-methylbenzoic acid methyl ester,methyl 3-amino-4-methyl-benzoate,benzoic acid, 3-amino-4-methyl-, methyl ester,methyl 3-amino-p-toluate,methyl 4-methyl-3-aminobenzoate,3-amino-p-toluic acid methyl ester,3-amino-4-methyl-benzoic acid methyl ester,3-amino-4-methyl benzoic acid methyl ester,pubchem2351,pubchem10930
IUPAC Name	methyl 3-amino-4-methylbenzoate
InChI Key	YEPWCJHMSVABPQ-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

2-Fluoro-5-methylaniline, 98%

CAS: 452-84-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007654 InChI Key: QZUXMXZNVAJNSE-UHFFFAOYSA-N Synonym: 3-amino-4-fluorotoluene,6-fluoro-m-toluidine,2-fluoro-5-methylphenylamine,2-fluoro-5-methylbenzenamine,benzenamine, 2-fluoro-5-methyl,2-fluoro-5-methylbenzeneamine,2-fluoro-5-methyl-aniline,pubchem1507,2-fluoro-5-metylaniline,acmc-209k1v PubChem CID: 262970 IUPAC Name: 2-fluoro-5-methylaniline SMILES: CC1=CC=C(F)C(N)=C1

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Specifications

PubChem CID	262970
CAS	452-84-6
Molecular Weight (g/mol)	125.15
MDL Number	MFCD00007654
SMILES	CC1=CC=C(F)C(N)=C1
Synonym	3-amino-4-fluorotoluene,6-fluoro-m-toluidine,2-fluoro-5-methylphenylamine,2-fluoro-5-methylbenzenamine,benzenamine, 2-fluoro-5-methyl,2-fluoro-5-methylbenzeneamine,2-fluoro-5-methyl-aniline,pubchem1507,2-fluoro-5-metylaniline,acmc-209k1v
IUPAC Name	2-fluoro-5-methylaniline
InChI Key	QZUXMXZNVAJNSE-UHFFFAOYSA-N
Molecular Formula	C7H8FN

2-Bromo-3-methylaniline, 97+%

CAS: 54879-20-8 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD06411367 InChI Key: VJNUZLYTGSGDHR-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-3-methyl,3-amino-2-bromotoluene,2-bromo-3-methylbenzenamine,2-bromo-3-methyl-benzenamine,2-bromo-3-methylphenylamine,2-bromo-3-methyl-phenylamine,acmc-20af7i,2-bromo-3-methyl aniline,ksc602o1n,benzenamine,2-bromo-3-methyl PubChem CID: 603781 IUPAC Name: 2-bromo-3-methylaniline SMILES: CC1=C(C(=CC=C1)N)Br

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Specifications

PubChem CID	603781
CAS	54879-20-8
Molecular Weight (g/mol)	186.052
MDL Number	MFCD06411367
SMILES	CC1=C(C(=CC=C1)N)Br
Synonym	benzenamine, 2-bromo-3-methyl,3-amino-2-bromotoluene,2-bromo-3-methylbenzenamine,2-bromo-3-methyl-benzenamine,2-bromo-3-methylphenylamine,2-bromo-3-methyl-phenylamine,acmc-20af7i,2-bromo-3-methyl aniline,ksc602o1n,benzenamine,2-bromo-3-methyl
IUPAC Name	2-bromo-3-methylaniline
InChI Key	VJNUZLYTGSGDHR-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

3-Fluoro-2-methylaniline, 98+%

CAS: 443-86-7 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007760 InChI Key: SLDLVGFPFFLYBM-UHFFFAOYSA-N Synonym: 3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin PubChem CID: 285553 IUPAC Name: 3-fluoro-2-methylaniline SMILES: CC1=C(N)C=CC=C1F

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Specifications

PubChem CID	285553
CAS	443-86-7
Molecular Weight (g/mol)	125.15
MDL Number	MFCD00007760
SMILES	CC1=C(N)C=CC=C1F
Synonym	3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin
IUPAC Name	3-fluoro-2-methylaniline
InChI Key	SLDLVGFPFFLYBM-UHFFFAOYSA-N
Molecular Formula	C7H8FN

1-(4-Methylphenyl)piperazine, 98%

CAS: 39593-08-3 Molecular Formula: C₁₁H₁₆N₂ Molecular Weight (g/mol): 176.26 MDL Number: MFCD00040737 InChI Key: ONEYFZXGNFNRJH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine PubChem CID: 83113 IUPAC Name: 1-(4-methylphenyl)piperazine SMILES: CC1=CC=C(C=C1)N2CCNCC2

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Specifications

PubChem CID	83113
CAS	39593-08-3
Molecular Weight (g/mol)	176.26
MDL Number	MFCD00040737
SMILES	CC1=CC=C(C=C1)N2CCNCC2
Synonym	1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine
IUPAC Name	1-(4-methylphenyl)piperazine
InChI Key	ONEYFZXGNFNRJH-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₆N₂

3-Amino-4-methylbiphenyl, 98%

CAS: 80938-67-6 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.25 MDL Number: MFCD00270126 InChI Key: YLKSTPDTTKOSIL-UHFFFAOYSA-N Synonym: 5-phenyl-o-toluidine,3-amino-4-methylbiphenyl,4-methyl-1,1'-biphenyl-3-amine,2-methyl-5-phenylphenylamine,1,1'-biphenyl-3-amine, 4-methyl,4-methylbiphenyl-3-amine,2-methyl-5-phenyl-aniline PubChem CID: 149880 IUPAC Name: 2-methyl-5-phenylaniline SMILES: CC1=CC=C(C=C1N)C1=CC=CC=C1

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Specifications

PubChem CID	149880
CAS	80938-67-6
Molecular Weight (g/mol)	183.25
MDL Number	MFCD00270126
SMILES	CC1=CC=C(C=C1N)C1=CC=CC=C1
Synonym	5-phenyl-o-toluidine,3-amino-4-methylbiphenyl,4-methyl-1,1'-biphenyl-3-amine,2-methyl-5-phenylphenylamine,1,1'-biphenyl-3-amine, 4-methyl,4-methylbiphenyl-3-amine,2-methyl-5-phenyl-aniline
IUPAC Name	2-methyl-5-phenylaniline
InChI Key	YLKSTPDTTKOSIL-UHFFFAOYSA-N
Molecular Formula	C13H13N

Aminotoluenes

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