Basic information
- CAS
52583-04-7- Standard SMILES
CN(C)CCCC12CC3CC(CC(C3)C1c1ccccc1)C2.Cl- InChIKey
OLNLBYCEMYGFIP-UHFFFAOYSA-N- Molecular formula
- C21H32ClN
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.2223277
Names & identifiers
- Preferred name
- Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride
- IUPAC
- N,N-dimethyl-3-(2-phenyl-1-adamantyl)propan-1-amine;hydrochloride
Names & synonyms
52583-04-7ADAMANTANE, 1-(3-DIMETHYLAMINOPROPYL)-2-PHENYL-, HYDROCHLORIDERefChem:1076168Propylamine, N,N-dimethyl-3-(2-phenyl-1-adamantyl)-, hydrochlorideDTXSID10967014N,N-Dimethyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
52583-04-7- PubChem CID
- 40446
- DTXSID
DTXSID10967014
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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