2,4-Dimethylbenzenemethanamine

C₉H₁₃NCAS 94-98-4135.21 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
Melting point: 214–216 °C
Boiling point: 105–115 °C (at 20 Torr)
logP: 1.76Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

94-98-4

SMILES

Cc1ccc(CN)c(C)c1

InChIKey

GBSUVYGVEQDZPG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenemethanamine, 2,4-dimethyl-
Benzylamine, 2,4-dimethyl-
2,4-Dimethylbenzylamine
(2,4-Dimethylphenyl)methanamine

Work with 2,4-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

2,5-Dimethylbenzenemethanamine93-48-170 % similar 2,4-Dimethylphenethylamine76935-60-966 % similar 1,3-Dimethyl-4-ethylbenzene874-41-961 % similar 4-Bromo-2-methylbenzylamine376646-62-760 % similar 2,4-Dimethylbenzyl alcohol16308-92-259 % similar 2,4-Dimethylbenzyl chloride824-55-559 % similar 2-Methylbenzylamine89-93-054 % similar 4-Methylbenzylamine104-84-752 % 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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