3-Methyldiphenylamine

C₁₃H₁₃NCAS 1205-64-7183.25 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₃H₁₃N
Molar mass: 183.25 g/mol
Exact mass: 183.1048 Da
Melting point: 30 °C
Boiling point: 316 °C
logP: 3.74Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1205-64-7

SMILES

Cc1cccc(Nc2ccccc2)c1

InChIKey

TWPMMLHBHPYSMT-UHFFFAOYSA-N

InChI

InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 3-methyl-N-phenyl-
m-Toluidine, N-phenyl-
3-Methyl-N-phenylbenzenamine
N-Phenyl-m-toluidine
(3-Methylphenyl)phenylamine
N-(3-Methylphenyl)-N-phenylamine
N-(3-Methylphenyl)aniline
N-Phenyl-3-methylaniline
Phenyl-m-tolylamine
N-Phenyl-3-toluidine
3-Methyl-N-phenylaniline

Work with 3-Methyldiphenylamine

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

m,m'-Ditolylamine626-13-190 % similar N,3-Dimethylaniline696-44-662 % similar Diphenylamine122-39-457 % similar 3,4-Dimethyldiphenylamine17802-36-757 % similar 2,4-Dimethyldiphenylamine25078-04-057 % similar 3-Chlorodiphenylamine101-17-756 % similar N-Ethyl-m-toluidine102-27-255 % similar m-Tolylhydrazine hydrochloride637-04-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzylaniline103-32-2 4-Benzylaniline1135-12-2 N-Methylbiphenyl-2-amine14925-09-8 2-Benzylaniline28059-64-5 N-Methyl-N-phenylbenzenamine552-82-9 4-Methyldiphenylamine620-84-8 4-Phenylbenzylamine712-76-5 5-Methyl-2-(4-methylphenyl)pyridine85237-71-4

Elsewhere

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