3,5-Dimethylbenzenemethanamine

C₉H₁₃NCAS 78710-55-1135.21 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
logP: 1.76Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H412 Harmful to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403, P405, P501

Identifiers

CAS number

78710-55-1

SMILES

Cc1cc(C)cc(CN)c1

InChIKey

DZBHNPJZCQWUCG-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6,10H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Benzenemethanamine, 3,5-dimethyl-
(3,5-Dimethylphenyl)methanamine
3,5-Dimethylbenzylamine

Work with 3,5-Dimethylbenzenemethanamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylbenzylamine100-81-260 % similar 4-Methylbenzylamine104-84-757 % similar Mesitylene108-67-850 % similar 3,5-Dimethylbenzyl bromide27129-86-850 % similar 3,5-Dimethylbenzyl alcohol27129-87-950 % similar 3,5-Dimethylbenzyl chloride2745-54-250 % similar 4-(Aminomethyl)-2,6-dimethylphenol876-15-348 % similar 2,5-Dimethylbenzenemethanamine93-48-146 % 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 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

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