Basic information
- CAS
31898-07-4- Standard SMILES
CC(CC12CC3CC(CC(C3)C1)C2)N(C)CCO.Cl- InChIKey
GLQXWWOXSUHWEZ-UHFFFAOYSA-N- Molecular formula
- C16H30ClNO
- Average molar mass
- 287.9 g/mol
- Monoisotopic mass
- 287.2015923
Names & identifiers
- Preferred name
- Adamantane, 1-(2-(N-(2-hydroxyethyl)-N-methyl)aminopropyl)-, hydrochloride
- IUPAC
- 2-[1-(1-adamantyl)propan-2-yl-methylamino]ethanol;hydrochloride
Names & synonyms
2-Propylamine, 1-(1-adamantyl)-N-(2-hydroxyethyl)-N-methyl-, hydrochloride31898-07-4ADAMANTANE, 1-(2-(N-(2-HYDROXYETHYL)-N-METHYL)AMINOPROPYL)-, HYDROCHLORIDERefChem:317219DTXSID909538142-{[1-(Adamantan-1-yl)propan-2-yl](methyl)amino}ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
31898-07-4- PubChem CID
- 36009
- DTXSID
DTXSID90953814
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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