2,4,5-Trimethylaniline

C₉H₁₃NCAS 137-17-7135.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
Density: 0.96 g/mL
Melting point: 68 °C
Boiling point: 234.5 °C
pKa: 5.09
Water solubility: < 100 mg/L (22.8 °C)
logP: 2.19Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H350 May cause cancerCarcinogenicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-197-00-6[1]), via PubChem.

Precautionary statements

P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

137-17-7

SMILES

Cc1cc(C)c(N)cc1C

InChIKey

BMIPMKQAAJKBKP-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names

Benzenamine, 2,4,5-trimethyl-
Aniline, 2,4,5-trimethyl-
2,4,5-Trimethylbenzenamine
Pseudocumidine
ψ-Cumidine
2,4,5-Trimethylphenylamine
NSC 37004
NSC 5297

Work with 2,4,5-Trimethylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl-p-phenylenediamine6393-01-793 % similar 4,5-Dimethyl-1,2-phenylenediamine3171-45-781 % similar 4-Amino-2,5-dimethylphenol3096-71-764 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-964 % similar Durene95-93-260 % similar 4,5-Difluoro-2-methylaniline875664-57-659 % similar 4,5-Dimethoxy-2-methylaniline41864-45-357 % similar Tolidine119-93-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Ethyl-m-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-m-toluidine121-72-2 Ethylbenzylamine14321-27-8 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

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