5-Amino-2-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
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
50670-64-9SMILES
CC1=C(C=C(C=C1)N)C#NInChIKey
YDZVQWCVKXYGIU-UHFFFAOYSA-NInChI
InChI=1S/C8H8N2/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Amino-2-methylbenzonitrile
Similar compounds
4-Amino-1,2-benzenedicarbonitrile56765-79-864 % similar
2,5-Dimethylbenzonitrile13730-09-162 % similar
2,5-Diaminobenzonitrile14346-13-560 % similar
5-Bromo-2-methylbenzonitrile156001-51-356 % similar
5-Amino-2-chlorobenzonitrile35747-58-156 % similar
5-Chloro-2-methylbenzonitrile50712-70-456 % similar
5-Amino-2-fluorobenzonitrile53312-81-556 % similar
5-Fluoro-2-methylbenzonitrile77532-79-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.