4,4-Diphenylbutanenitrile
Basic information
- CAS
22156-48-5- Standard SMILES
N#CCCC(c1ccccc1)c1ccccc1- InChIKey
JYHNHWMZIXPAEL-UHFFFAOYSA-N- Molecular formula
- C16H15N
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.12044948
Names & identifiers
- Preferred name
- 4,4-Diphenylbutanenitrile
- IUPAC
- 4,4-diphenylbutanenitrile
- English name
- 4,4-diphenylbutyronitrile
- Molecular formula
- C16H15N
- Molecular weight
- 221.3
Names & synonyms
4,4-diphenylbutanenitrile22156-48-54,4-Diphenylbutyronitrilegamma-PhenylbenzenebutanenitrileBenzenebutanenitrile, g-phenyl-EINECS 244-810-47CR2X86CGFButyronitrile, 4,4-diphenyl-SCHEMBL4755511DTXSID90176687Benzenebutanenitrile, gamma-phenyl-SBB096179
Show more names
γ-PhenylbenzenebutanenitrileBenzenebutanenitrile, γ-phenyl-
AT52197CS-0449728NS00027078EN300-1862065AB-131/42301621
Database identifiers
- CAS
22156-48-5- PubChem CID
- 89610
- DTXSID
DTXSID90176687- UNII
- 7CR2X86CGF
- EC Number
- 244-810-4
- Nikkaji
- J285.447C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
3 records
Compound notes
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