chempirical

Benzenebutanenitrile

C10H11NCAS 2046-18-6145.20 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C10H11N
Molar mass
145.20 g/mol
Exact mass
145.0891 Da
Boiling point
97–99 °C
logP
2.53Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
2046-18-6
SMILES
N#CCCCc1ccccc1
InChIKey
ICMVGKQFVMTRLB-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2

Weigh it out

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

Names and synonyms

7 names
  • Butyronitrile, 4-phenyl-
  • 4-Phenylbutyronitrile
  • (3-Cyanopropyl)benzene
  • 1-Cyano-3-phenylpropane
  • 4-Phenylbutanenitrile
  • γ-Phenylpropyl cyanide
  • NSC 1853

Work with Benzenebutanenitrile

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

Similar compounds

Benzenepropanenitrile645-59-076 % similar 5-Phenyl-1-pentyne1823-14-956 % similar 1,3-Diphenylpropane1081-75-055 % similar Bibenzyl103-29-750 % similar Adiponitrile111-69-350 % similar 4-Benzylphenylacetonitrile101096-72-448 % similar 3,3′-(Phenylimino)bis[propanenitrile]1555-66-448 % similar Dodecanedinitrile4543-66-248 % similar

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

Same formula

2,5-Dimethylindole1196-79-8 2,5-Dimethylbenzeneacetonitrile16213-85-7 4-Ethynyl-N,N-dimethylaniline17573-94-3 3,5-Dimethylbenzeneacetonitrile39101-54-7 α-Ethylbenzeneacetonitrile769-68-6 1,2-Dimethylindole875-79-6 2,3-Dimethylindole91-55-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook