4-Ethylbenzonitrile

C₉H₉NCAS 25309-65-3131.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N
Molar mass: 131.18 g/mol
Exact mass: 131.0735 Da
Density: 0.9716 g/mL (at 20 °C)
Melting point: −24.2 °C
Boiling point: 121 °C (at 24 Torr)
logP: 2.12Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

25309-65-3

SMILES

CCc1ccc(C#N)cc1

InChIKey

SXFFMFAQNAFSLF-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names

Benzonitrile, 4-ethyl-
Benzonitrile, p-ethyl-
4-Cyanoethylbenzene
p-Ethylbenzonitrile
α-Methyl-p-toluonitrile
1-Cyano-4-ethylbenzene

Work with 4-Ethylbenzonitrile

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

Same formula

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 3,5-Dimethylbenzonitrile22445-42-7 3,4-Dimethylbenzonitrile22884-95-3 2,6-Dimethylphenyl isocyanide2769-71-3

Elsewhere

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