Basic information
- CAS
64047-36-5- Standard SMILES
CC(CC12CC3CC(CC(C3)C1)C2)N(C)CC(=O)c1ccc(Cl)cc1.Cl- InChIKey
RSCFQUYOMSFUAW-UHFFFAOYSA-N- Molecular formula
- C22H31Cl2NO
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 395.17827
Names & identifiers
- Preferred name
- Adamantane, 1-(2-(N-(p-chlorophenacyl)-N-methyl)aminopropyl)-, hydrochloride
- IUPAC
- 2-[1-(1-adamantyl)propan-2-yl-methylamino]-1-(4-chlorophenyl)ethanone;hydrochloride
Names & synonyms
64047-36-5Adamantane, 1-(2-(N-(p-chlorophenacyl)-N-methyl)aminopropyl)-, hydrochlorideAdamantane, 1-(2-(N-chlorophenylcarbonylmethyl)-N-methyl)aminopropyl-, hydrochlorideEthanone, 1-(chlorophenyl)-2-(methyl(1-methyl-2-tricyclo(3.3.1.13,7)dec-1-ylethyl)amino)-, hydrochlorideRefChem:317220DTXSID109822222-{[1-(Adamantan-1-yl)propan-2-yl](methyl)amino}-1-(4-chlorophenyl)ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
64047-36-5- PubChem CID
- 64447
- DTXSID
DTXSID10982222
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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