1-(1-Adamantyl)-2-aminoethanol hydrochloride
Basic information
- CAS
76066-33-6- Standard SMILES
Cl.NCC(O)C12CC3CC(CC(C3)C1)C2- InChIKey
RVHFFZFYWDHUMU-UHFFFAOYSA-N- Molecular formula
- C12H22ClNO
- Average molar mass
- 231.76 g/mol
- Monoisotopic mass
- 231.138992
Names & identifiers
- Preferred name
- 1-(1-Adamantyl)-2-aminoethanol hydrochloride
- IUPAC
- 1-(1-adamantyl)-2-aminoethanol;hydrochloride
Names & synonyms
76066-33-61-(1-adamantyl)-2-aminoethanol hydrochloride1-(Adamantan-1-yl)-2-aminoethan-1-ol hydrochlorideCHEMBL1202589MFCD02208027BIM-0020640.P001CCG-67231-(1-adamantyl)-2-aminoethanol;hydrochloride1-(1-adamantyl)-2-amino-ethanol;hydrochlorideEN300-10008450Z3244878097
Database identifiers
- CAS
76066-33-6- PubChem CID
- 5338939
- ChEMBL
CHEMBL1202589- EC Number
- 877-149-0
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…