α-Methyl-α-phenylbenzeneacetonitrile
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 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
5558-67-8SMILES
CC(C#N)(c1ccccc1)c1ccccc1InChIKey
DPVHBXFSKLKYIQ-UHFFFAOYSA-NInChI
InChI=1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzeneacetonitrile, α-methyl-α-phenyl-
- Propionitrile, 2,2-diphenyl-
- 2,2-Diphenylpropionitrile
- 1,1-Diphenylethyl cyanide
- NSC 62703
- 2,2-Diphenylpropanenitrile
- 2,2-Diphenylpropiononitrile
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
Methoxyphenyl(trifluoromethyl)acetonitrile80866-87-142 % similar
2-Phenylpropane-2-thiol16325-88-541 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.