Basic information
- Standard SMILES
CN(C)CCC(=O)C=Cc1ccccc1.Cl- InChIKey
QFIBMGHTKGVQFG-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
Names & identifiers
- Preferred name
- (E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochloride
- IUPAC
- 5-(dimethylamino)-1-phenylpent-1-en-3-one;hydrochloride
Names & synonyms
(E)-5-Dimethylamino-1-phenyl-pent-1-en-3-one; hydrochlorideSCHEMBL11202359QFIBMGHTKGVQFG-UHFFFAOYSA-Nstyryl beta-dimethylaminoethyl ketone hydrochloride5-(Dimethylamino)-1-phenyl-1-penten-3-one, hydrochloride5-(dimethylamino)-1-phenyl-pent-1-en-3-one;hydrochloride
Database identifiers
- PubChem CID
- 145789
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
2 records
Compound notes
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