chempirical

2,4,5-Trimethylaniline

C9H13NCAS 137-17-7135.21 g/mol

Open in Covalent MOL file
NH2
Primary Amine

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
logP
2.19Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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

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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 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

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8 Benzenepropanamine2038-57-5

Elsewhere

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