Phenylglycine nitrile
Properties
- Molecular formula
- C8H8N2
- Molar mass
- 132.17 g/mol
- Exact mass
- 132.0687 Da
- Melting point
- 72 °C
- logP
- 1.33Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed95.1% of notifiers
- H311 Toxic in contact with skin95.1% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H331 Toxic if inhaled95.1% of notifiers
- H335 May cause respiratory irritation95.1% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2973-50-4SMILES
N#CCc1ccccc1NInChIKey
LMDPYYUISNUGGT-UHFFFAOYSA-NInChI
InChI=1S/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2-Aminobenzeneacetonitrile
- Benzeneacetonitrile, 2-amino-
- Acetonitrile, (o-aminophenyl)-
- o-Aminobenzyl cyanide
- 2-Aminobenzyl cyanide
- (2-Aminophenyl)acetonitrile
- 2-(Cyanomethyl)aniline
Work with Phenylglycine nitrile
Similar compounds
o-Phenylenediacetonitrile613-23-065 % similar
1,2-Benzenediacetonitrile613-73-065 % similar
(2-Bromophenyl)acetonitrile19472-74-354 % similar
2-(Aminomethyl)aniline4403-69-452 % similar
2-Methylphenylacetonitrile22364-68-752 % similar
(2-Chlorophenyl)acetonitrile2856-63-552 % similar
2-Fluorobenzeneacetonitrile326-62-552 % similar
2-Cyanobenzeneacetonitrile3759-28-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds