Basic information
- CAS
27866-19-9- Standard SMILES
CN(C)CC(O)COCC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
BTJVJNFSHNESAY-UHFFFAOYSA-N- Molecular formula
- C16H30ClNO2
- Average molar mass
- 303.9 g/mol
- Monoisotopic mass
- 303.1965069
Names & identifiers
- Preferred name
- 2-Propanol, 1-(1-adamantylmethoxy)-3-dimethylamino-, hydrochloride
- IUPAC
- 1-(1-adamantylmethoxy)-3-(dimethylamino)propan-2-ol;hydrochloride
Names & synonyms
27866-19-92-Propanol, 1-(1-adamantylmethoxy)-3-dimethylamino-, hydrochloride1-(1-Adamantylmethoxy)-3-dimethylamino-2-propanol hydrochlorideRefChem:2656891-(1-adamantylmethoxy)-3-(dimethylamino)propan-2-ol;hydrochloride{3-[(adamantan-1-yl)methoxy]-2-hydroxypropyl}dimethylamine hydrochlorideDTXSID10950547AKOS026683673VU0607348-1F3254-00091-((3r,5r,7r)-adamantan-1-ylmethoxy)-3-(dimethylamino)propan-2-ol hydrochloride1-[(Adamantan-1-yl)methoxy]-3-(dimethylamino)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
27866-19-9- PubChem CID
- 64267
- DTXSID
DTXSID10950547
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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