Basic information
- CAS
27866-12-2- Standard SMILES
CCCCNCC(O)COCC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
UIPLPUVJMFSPTQ-UHFFFAOYSA-N- Molecular formula
- C18H34ClNO2
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.227807
Names & identifiers
- Preferred name
- 2-Propanol, 1-(1-adamantylmethoxy)-3-butylamino-, hydrochloride
- IUPAC
- 1-(1-adamantylmethoxy)-3-(butylamino)propan-2-ol;hydrochloride
Names & synonyms
2-Propanol, 1-(1-adamantylmethoxy)-3-butylamino-, hydrochloride27866-12-21-(1-Adamantylmethoxy)-3-butylamino-2-propanol hydrochloride2-Propanol, 1-(1-adamantylmethoxy)-3-(butylamino)-, hydrochlorideRefChem:265685DTXSID709505431-[(Adamantan-1-yl)methoxy]-3-(butylamino)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
27866-12-2- PubChem CID
- 64260
- DTXSID
DTXSID70950543
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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