3-Amino-N-methylbenzenemethanamine

C₈H₁₂N₂CAS 18759-96-1136.20 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₈H₁₂N₂
Molar mass: 136.20 g/mol
Exact mass: 136.1000 Da
logP: 0.99Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-193-00-4), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

18759-96-1

SMILES

CNCc1cccc(N)c1

InChIKey

HBLPYXIZPMDWIO-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3

Weigh it out

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

Names and synonyms

11 names

Benzenemethanamine, 3-amino-N-methyl-
Toluene-α,3-diamine, N-methyl-
Methyl(3-aminobenzyl)amine
3-Amino-N-methylbenzylamine
N-Methyl-m-aminobenzylamine
N-Methyltoluene-α,3-diamine
(3-Aminobenzyl)methylamine
3-[(Methylamino)methyl]aniline
N-Methyl-3-aminobenzylamine
3-Methylaminomethyl-phenylamine
3-Methylaminomethylphenylamine

Work with 3-Amino-N-methylbenzenemethanamine

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

4-Amino-N-methylbenzenemethanamine38020-69-859 % similar (3-Fluorobenzyl)methylamine90389-84-758 % similar 3,3'-Diaminodiphenylmethane19471-12-657 % similar 3-Aminobenzyl alcohol1877-77-657 % similar 3-Ethylaniline587-02-057 % similar (3-Bromobenzyl)methylamine67344-77-856 % similar 2-(3-Aminophenyl)ethanol52273-77-555 % similar N-Methylbenzylamine103-67-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetramethylpyrazine1124-11-4 2,5-Diethylpyrazine13238-84-1 2-(4-Aminophenyl)ethylamine13472-00-9 2-Ethyl-3,5-dimethylpyrazine13925-07-0 M-Xylylenediamine1477-55-0 2,3-Diethylpyrazine15707-24-1 2,3-Dimethyl-5-ethylpyrazine15707-34-3 2-Methyl-3-propylpyrazine15986-80-8

Elsewhere

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