2-Phenyl-2-(1-phenylethyl)pentanenitrile
Basic information
- CAS
6624-28-8- Standard SMILES
CCCC(C#N)(c1ccccc1)C(C)c1ccccc1- InChIKey
REAODULDQASWNS-UHFFFAOYSA-N- Molecular formula
- C19H21N
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.16739967
Names & identifiers
- Preferred name
- 2-Phenyl-2-(1-phenylethyl)pentanenitrile
- IUPAC
- 2-phenyl-2-(1-phenylethyl)pentanenitrile
- English name
- 2-phenyl-2-(1-phenylethyl)pentanenitrile
- Molecular formula
- C19H21N
- Molecular weight
- 263.38
Names & synonyms
6624-28-82-phenyl-2-(1-phenylethyl)pentanenitrileNSC55271NCIOpen2_002186DTXSID00288321NSC-55271Benzenepropanenitrile, β-methyl-α-phenyl-α-propyl-
Database identifiers
- CAS
6624-28-8- PubChem CID
- 244384
- DTXSID
DTXSID00288321
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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