Basic information
- CAS
52777-39-6- Standard SMILES
CNCCCC12CC3CC(CC(C3)C1O)C2.Cl- InChIKey
KGFPEHPECNYMKJ-UHFFFAOYSA-N- Molecular formula
- C14H26ClNO
- Average molar mass
- 259.81 g/mol
- Monoisotopic mass
- 259.1702921
Names & identifiers
- Preferred name
- 2-Adamantanol, 1-(3-methylaminopropyl)-, hydrochloride
- IUPAC
- 1-[3-(methylamino)propyl]adamantan-2-ol;hydrochloride
Names & synonyms
2-ADAMANTANOL, 1-(3-METHYLAMINOPROPYL)-, HYDROCHLORIDE52777-39-62-Hydroxy-N-methyl-1-adamantanepropanamine hydrochlorideAdamantane, 2-hydroxy-1-(3-methylaminopropyl)-, hydrochloridePropylamine, 3-(2-hydroxy-1-adamantyl)-N-methyl-, hydrochlorideRefChem:255131DTXSID509672301-[3-(Methylamino)propyl]adamantan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
52777-39-6- PubChem CID
- 40523
- DTXSID
DTXSID50967230
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…