chempirical

β-Phenylbenzenepropanenitrile

C15H13NCAS 2286-54-6207.28 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C15H13N
Molar mass
207.28 g/mol
Exact mass
207.1048 Da
Melting point
88.5 °C
Boiling point
175–178 °C (at 2 Torr)
logP
3.73Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
2286-54-6
SMILES
N#CCC(c1ccccc1)c1ccccc1
InChIKey
INERKLNEVAZSCI-UHFFFAOYSA-N
InChI
InChI=1S/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenepropanenitrile, β-phenyl-
  • Propionitrile, 3,3-diphenyl-
  • 3,3-Diphenylpropionitrile
  • 3,3-Diphenylpropanenitrile

Work with β-Phenylbenzenepropanenitrile

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

1,1-Diphenylpropane1530-03-646 % similar 2,2-Diphenylethylamine3963-62-046 % similar γ-Phenylbenzenepropanol20017-67-843 % similar 3,3-Diphenylpropyl bromide20017-68-943 % similar 3,3-Diphenylpropylamine5586-73-243 % similar Diphenylpropionic acid606-83-742 % similar 2,6-Dichlorobenzeneacetonitrile3215-64-341 % similar Benzenepropanenitrile645-59-041 % similar

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

Same formula

4-Benzylphenylacetonitrile101096-72-4 1-Benzylindole3377-71-7 1-Methyl-2-phenylindole3558-24-5 α-Methyl-α-phenylbenzeneacetonitrile5558-67-8 4-Ethyl-4′-cyanobiphenyl58743-75-2

Elsewhere

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