α-Methyl-α-phenylbenzeneacetonitrile

C₁₅H₁₃NCAS 5558-67-8207.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃N
Molar mass: 207.28 g/mol
Exact mass: 207.1048 Da
Density: 1.0671 g/mL (at 20 °C)
Boiling point: 310–313 °C
logP: 3.52Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

5558-67-8

SMILES

CC(C#N)(c1ccccc1)c1ccccc1

InChIKey

DPVHBXFSKLKYIQ-UHFFFAOYSA-N

InChI

InChI=1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3

Weigh it out

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

Names and synonyms

6 names

Benzeneacetonitrile, α-methyl-α-phenyl-
Propionitrile, 2,2-diphenyl-
2,2-Diphenylpropionitrile
1,1-Diphenylethyl cyanide
NSC 62703
2,2-Diphenylpropanenitrile

Work with α-Methyl-α-phenylbenzeneacetonitrile

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

1-Phenylcyclopropanecarbonitrile935-44-448 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-446 % similar Dimethyldiphenylmethane778-22-346 % similar tert-Butylbenzene98-06-646 % similar 1-Phenylcyclopentanecarbonitrile77-57-645 % similar 2-Phenyl-3-butyn-2-ol127-66-243 % similar α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile80866-87-142 % similar Cumylamine585-32-041 % similar

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

Same formula

4-Benzylphenylacetonitrile101096-72-4 β-Phenylbenzenepropanenitrile2286-54-6 1-Methyl-2-phenylindole3558-24-5 4-Ethyl-4′-cyanobiphenyl58743-75-2

Elsewhere

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