Basic information
- CAS
23479-46-1- Standard SMILES
CC(O)CN(CC(C)O)C12CC3CC(CC(C3)C1)C2.Cl- InChIKey
AVOVZIHRQHWFFN-UHFFFAOYSA-N- Molecular formula
- C16H30ClNO2
- Average molar mass
- 303.9 g/mol
- Monoisotopic mass
- 303.1965069
Names & identifiers
- Preferred name
- 2-Propanol, 1,1'-(1-adamantylimino)di-, hydrochloride
- IUPAC
- 1-[1-adamantyl(2-hydroxypropyl)amino]propan-2-ol;hydrochloride
Names & synonyms
Bis(2-hydroxypropyl)aminoadamantane hydrochloride2-Propanol, 1,1'-(1-adamantylimino)di-, hydrochloride23479-46-1RefChem:265548DTXSID809461591,1'-[(Adamantan-1-yl)azanediyl]di(propan-2-ol)--hydrogen chloride (1/1)
Database identifiers
- CAS
23479-46-1- PubChem CID
- 64191
- DTXSID
DTXSID80946159
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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