Basic information
- CAS
847-84-7- Standard SMILES
CCC(=O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
GYWUCVKLUKFJLC-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1702921
Overview
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Names & identifiers
- Preferred name
- 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride
- IUPAC
- dimethyl-(4-oxo-3,3-diphenylhexyl)azanium chloride
Names & synonyms
1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride1,1-Diphenyl-1-(2-dimethylaminoethyl)-2-butanone hydrochlorideIsoamidone I hy drochlorideAKOS027382470FN26461NS00080085
Database identifiers
- CAS
847-84-7- PubChem CID
- 13312
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
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Compound notes
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