3-(Phenylamino)propanenitrile

C₉H₁₀N₂CAS 1075-76-9146.19 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₉H₁₀N₂
Molar mass: 146.19 g/mol
Exact mass: 146.0844 Da
Density: 0.948 g/mL (at 20 °C)
Melting point: 49 °C
Boiling point: 171 °C (at 10 Torr)
logP: 2.01Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1075-76-9

SMILES

N#CCCNc1ccccc1

InChIKey

FENJKTQEFUPECW-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2

Weigh it out

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

Names and synonyms

12 names

Propanenitrile, 3-(phenylamino)-
Propionitrile, 3-anilino-
N-(β-Cyanoethyl)aniline
β-Anilinopropionitrile
3-Anilinopropionitrile
N-(2-Cyanoethyl)aniline
N-(Cyanoethyl)aniline
(β-Cyanoethyl)aniline
3-(Phenylamino)propionitrile
NSC 80663
3-(N-Phenylamino)propionitrile
3-Anilinopropanenitrile

Reactions

N-2-CYANOETHYLANILINE (Propionitrile, 3-anilino-)product

Work with 3-(Phenylamino)propanenitrile

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-[(3-Methylphenyl)amino]propanenitrile27618-25-368 % similar 2-(Phenylamino)acetonitrile3009-97-062 % similar N,N'-Diphenylethylenediamine150-61-861 % similar N-(2-Hydroxyethyl)aniline122-98-552 % similar N-Phenylethylenediamine1664-40-050 % similar Propylaniline622-80-050 % similar Benzylaniline103-32-248 % similar Benzenepropanenitrile645-59-048 % similar

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

Same formula

1-Methyl-1H-indol-5-amine102308-97-4 4-(Dimethylamino)benzonitrile1197-19-9 4-Amino-3-ethylbenzonitrile170230-87-2 2-Ethylbenzimidazole1848-84-6 Dipyrrylmethane21211-65-4 (1H-Indol-4-yl)methanamine3468-18-6 Myosmine532-12-7 5,6-Dimethylbenzimidazole582-60-5

Elsewhere

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