2-Phenylpropionitrile

C₉H₉NCAS 1823-91-2131.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N
Molar mass: 131.18 g/mol
Exact mass: 131.0735 Da
Density: 0.9854 g/mL (at 20 °C)
Melting point: 210 °C
Boiling point: 231 °C
logP: 2.31Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1823-91-2

SMILES

CC(C#N)c1ccccc1

InChIKey

NVAOLENBKNECGF-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3

Weigh it out

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

Names and synonyms

16 names · show all

Benzeneacetonitrile, α-methyl-
Hydratroponitrile
α-Methylbenzeneacetonitrile
α-Phenylpropionitrile
α-Methylbenzyl cyanide
α-Phenylethyl cyanide
2-Phenylpropanenitrile
α-Cyanoethylbenzene
α-Methylphenylacetonitrile
Dl-α-Phenylethyl isocyanide
(±)-2-Phenylpropionitrile
Dl-2-Phenylpropionitrile
(±)-α-Methylbenzeneacetonitrile
(±)-α-Methylbenzyl cyanide
NSC 11264
NSC 37485

Work with 2-Phenylpropionitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 3,5-Dimethylbenzonitrile22445-42-7 3,4-Dimethylbenzonitrile22884-95-3 4-Ethylbenzonitrile25309-65-3 2,6-Dimethylphenyl isocyanide2769-71-3

Elsewhere

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