4-Hexanone, 1-dimethylamino-3-phenyl-
Basic information
- CAS
67227-14-9- Standard SMILES
CCC(=O)C(CCN(C)C)c1ccccc1- InChIKey
ZFQTWPRJPYNFEC-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 4-Hexanone, 1-dimethylamino-3-phenyl-
- IUPAC
- 6-(dimethylamino)-4-phenylhexan-3-one
- English name
- 1-Dimethylamino-3-phenyl-4-hexanone
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
67227-14-94-HEXANONE, 1-DIMETHYLAMINO-3-PHENYL-RefChem:10707101-Dimethylamino-3-phenyl-4-hexanone6-(dimethylamino)-4-phenylhexan-3-oneBRN 30531204-14-00-00185 (Beilstein Handbook Reference)DTXSID309863433-Hexanone, 6-(dimethylamino)-4-phenyl-
Database identifiers
- CAS
67227-14-9- PubChem CID
- 49622
- DTXSID
DTXSID30986343- Nikkaji
- J73.728C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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