Basic information
- CAS
973-31-9- Standard SMILES
O=C(CC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1.[Cl-]- InChIKey
FKTGGXXFDALBLU-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1702921
Names & identifiers
- Preferred name
- 2-Butanone, 4,4-diphenyl-1-piperidino-, hydrochloride
- IUPAC
- 4,4-diphenyl-1-piperidin-1-ium-1-ylbutan-2-one chloride
Names & synonyms
973-31-92-BUTANONE, 4,4-DIPHENYL-1-PIPERIDINO-, HYDROCHLORIDERefChem:10625264,4-Diphenyl-1-piperidino-2-butanone hydrochloride4,4-diphenyl-1-piperidin-1-ium-1-ylbutan-2-one chloride4,4-Diphenyl-1-piperidino-2-butanone hydrochloride, 2-BUTANONE, 4,4-DIPHENYL-1-PIPERIDINO-, HYDROCHLORIDE, 973-31-9, AC1L22H2, LS-46741, 1-(2-oxo-4,4-diphenylbutyl)piperidinium chloride, 4,4-diphenyl-1-piperidin-1-ium-1-ylbutan-2-one chloride
Database identifiers
- CAS
973-31-9- PubChem CID
- 13784
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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