3-Amino-4-methylbenzonitrile
Properties
- Molecular formula
- C8H8N2
- Molar mass
- 132.17 g/mol
- Exact mass
- 132.0687 Da
- logP
- 1.45Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled20% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
- H302 Harmful if swallowed80% of notifiers
- H312 Harmful in contact with skin80% of notifiers
- H315 Causes skin irritation80% of notifiers
- H317 May cause an allergic skin reaction20% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H332 Harmful if inhaled80% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
60710-80-7SMILES
CC1=C(C=C(C=C1)C#N)NInChIKey
IEWMNQUBZPVSSV-UHFFFAOYSA-NInChI
InChI=1S/C8H8N2/c1-6-2-3-7(5-9)4-8(6)10/h2-4H,10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Amino-4-methylbenzonitrile
Similar compounds
4-Amino-3-methylbenzonitrile78881-21-772 % similar
3,4-Diaminobenzonitrile17626-40-364 % similar
3,4-Dimethylbenzonitrile22884-95-364 % similar
3-Methoxy-4-methylbenzonitrile3556-60-358 % similar
3-Fluoro-4-methylbenzonitrile170572-49-356 % similar
3-Chloro-p-toluonitrile21423-81-456 % similar
3-Bromo-4-methylbenzonitrile42872-74-256 % similar
3-Amino-4-chlorobenzonitrile53312-79-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.