2-(Phenylamino)acetonitrile

C₈H₈N₂CAS 3009-97-0132.17 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₈H₈N₂
Molar mass: 132.17 g/mol
Exact mass: 132.0687 Da
Melting point: 47 °C
Boiling point: 149–150 °C (at 4 Torr)
logP: 1.62Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed99.1% of notifiers
H318 Causes serious eye damage99.1% of notifiers
H412 Harmful to aquatic life with long lasting effects96.3% of notifiers

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

3009-97-0

SMILES

N#CCNc1ccccc1

InChIKey

KAXCEFLQAYFJKV-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2

Weigh it out

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

Names and synonyms

13 names · show all

Acetonitrile, 2-(phenylamino)-
Acetonitrile, anilino-
Acetonitrile, (phenylamino)-
Glycinonitrile, N-phenyl-
Phenylglycine nitrile
Anilinoacetonitrile
1-Anilinoacetonitrile
N-(Cyanomethyl)aniline
N-Phenylglycinonitrile
(Phenylamino)acetonitrile
N-(Phenylamino)acetonitrile
NSC 7611
2-Anilinoacetonitrile

Work with 2-(Phenylamino)acetonitrile

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

3-(Phenylamino)propanenitrile1075-76-962 % similar N,N'-Diphenylethylenediamine150-61-852 % similar Benzylaniline103-32-252 % similar N-Ethylaniline103-69-546 % similar N-(2-Hydroxyethyl)aniline122-98-544 % similar N-Phenylethylenediamine1664-40-043 % similar 3-[(3-Methylphenyl)amino]propanenitrile27618-25-343 % similar Propylaniline622-80-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Cyanobenzylamine10406-25-4 1-Methylbenzimidazole1632-83-3 5-Methyl-1H-indazole1776-37-0 2-Methyl-7-azaindole23612-48-8 2-Amino-4-methylbenzonitrile26830-96-6 Phenylglycine nitrile2973-50-4 3-Methyl-1H-indazole3176-62-3 4-Aminophenylacetonitrile3544-25-0

Elsewhere

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