3-Aminobenzylamine

C₇H₁₀N₂CAS 4403-70-7122.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀N₂
Molar mass: 122.17 g/mol
Exact mass: 122.0844 Da
logP: 0.73Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-180-00-3), via PubChem.

Precautionary statements

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

Identifiers

CAS number

4403-70-7

SMILES

NCc1cccc(N)c1

InChIKey

ZDBWYUOUYNQZBM-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2

Weigh it out

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

Names and synonyms

6 names

Benzenemethanamine, 3-amino-
Toluene-α,3-diamine
3-Aminobenzenemethanamine
m-Aminobenzylamine
3-Aminomethylphenylamine
3-(Aminomethyl)aniline

Work with 3-Aminobenzylamine

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

M-Xylylenediamine1477-55-068 % similar 3,3'-Diaminodiphenylmethane19471-12-667 % similar 3-Aminobenzyl alcohol1877-77-659 % similar 3-Ethylaniline587-02-059 % similar 3,4'-Diaminodiphenylmethane19430-83-257 % similar 2-(3-Aminophenyl)ethanol52273-77-557 % similar 3-Fluorobenzylamine100-82-356 % similar 3-Chlorobenzylamine4152-90-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dimethylpyridin-3-amine1073-21-8 4-Dimethylaminopyridine1122-58-3 4,6-Dimethyl-3-pyridinamine1193-71-1 4-Pyridineethanamine13258-63-4 2-Ethyl-5-methylpyrazine13360-64-0 2,3,5-Trimethylpyrazine14667-55-1 3-Methyl-2-pyridinemethanamine153936-26-6 2-Ethyl-3-methylpyrazine15707-23-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook