3-(Dimethylamino)benzenemethanamine

C₉H₁₄N₂CAS 57678-46-3150.22 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₉H₁₄N₂
Molar mass: 150.22 g/mol
Exact mass: 150.1157 Da
Boiling point: 134–135 °C (at 10 Torr)
logP: 1.21Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation100% 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

57678-46-3

SMILES

CN(C)c1cccc(CN)c1

InChIKey

SJIFOHPZHHKGLQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,7,10H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

Benzenemethanamine, 3-(dimethylamino)-
3-(Dimethylamino)benzylamine
N-[3-(Aminomethyl)phenyl]-N,N-dimethylamine
(3-Aminomethylphenyl)dimethylamine
3-(Aminomethyl)-N,N-dimethylaniline

Work with 3-(Dimethylamino)benzenemethanamine

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-(4-Methyl-1-piperazinyl)benzenemethanamine672325-37-062 % similar 3-(Dimethylamino)benzenemethanol23501-93-161 % similar M-Xylylenediamine1477-55-058 % similar (3-Morpholinophenyl)methylamine625470-29-354 % similar 3-Chlorobenzylamine4152-90-353 % similar 4-(Aminomethyl)-N,N-dimethylaniline dihydrochloride34403-52-653 % similar 3-Methylbenzylamine100-81-252 % similar 3-Chloro-N,N-dimethylbenzenamine6848-13-150 % similar

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

Same formula

2-Isobutyl-3-methylpyrazine13925-06-9 Nonanedinitrile1675-69-0 2-Isopropyl-4-methylpyridin-3-amine1698293-93-4 2,3-Diethyl-5-methylpyrazine18138-04-0 4-Dimethylaminobenzylamine19293-58-4 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-3 N-Benzylethylenediamine4152-09-4 1-(4-Isopropylphenyl)hydrazine63693-65-2

Elsewhere

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