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Substance Name: 2,4,5-Trimethylaniline
RN: 137-17-7
UNII: 00KUO98F97
InChIKey: BMIPMKQAAJKBKP-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.209
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 2,4,5-Trimethylaniline

Synonyms

  • 1,2,4-Trimethyl-5-aminobenzene
  • 1-Amino-2,4,5-trimethylbenzene
  • 2,4,5-Trimethylanilin
  • 2,4,5-Trimethylanilin [Czech]
  • 2,4,5-Trimethylaniline
  • 2,4,5-Trimethylbenzenamine
  • Benzenamine, 2,4,5-trimethyl-
  • CCRIS 608
  • EINECS 205-282-0
  • HSDB 2908
  • NCI-C02299
  • NSC 37004
  • Pseudocumidine
  • Pseudokumidin
  • Pseudokumidin [Czech]
  • psi-Cumidine
  • UNII-00KUO98F97

Systematic Names

  • 2,4,5-Trimethylaniline
  • Aniline, 2,4,5-trimethyl-
  • Benzenamine, 2,4,5-trimethyl-
  • Benzenamine, 2,4,5-trimethyl- (9CI)

Superlist Name

  • 2,4,5-Trimethylaniline

Registry Numbers

CAS Registry Number

  • 137-17-7

FDA UNII

  • 00KUO98F97

Related Registry Number

  • 21436-97-5 (hydrochloride)

System Generated Number

  • 0000137177

Structure Descriptors

InChI

1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3

InChIKey

BMIPMKQAAJKBKP-UHFFFAOYSA-N

Smiles

c1(c(cc(N)c(c1)C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68 deg C   EXP
Boiling Point 234.5 deg C   EXP
pKa Dissociation Constant 5.09 (none)   EXP
log P (octanol-water) 2.27 (none)   EXP
Water Solubility 1500 mg/L   EXP
Vapor Pressure 0.009 mm Hg 25 EXP
Henry's Law Constant 2.48E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.