Basic information
- CAS
31898-05-2- Standard SMILES
CN(C)CCCC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
PVSWBRFYDVJIQQ-UHFFFAOYSA-N- Molecular formula
- C15H28ClN
- Average molar mass
- 257.84 g/mol
- Monoisotopic mass
- 257.1910276
Names & identifiers
- Preferred name
- Adamantane, 1-(3-dimethylaminopropyl)-, hydrochloride
- IUPAC
- 3-(1-adamantyl)-N,N-dimethylpropan-1-amine;hydrochloride
Names & synonyms
ADAMANTANE, 1-(3-DIMETHYLAMINOPROPYL)-, HYDROCHLORIDE31898-05-2Propylamine, 3-(1-adamantyl)-N,N-dimethyl-, hydrochlorideDTXSID30185753RefChem:317228DTXCID701082443-(Adamantan-1-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
31898-05-2- PubChem CID
- 36005
- DTXSID
DTXSID30185753
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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