Basic information
- CAS
60698-03-5- Standard SMILES
CCCCC(O)(CCCC)C1CN2CCC1CC2.Cl- InChIKey
NACNQJBJTGQHSL-UHFFFAOYSA-N- Molecular formula
- C16H32ClNO
- Average molar mass
- 289.9 g/mol
- Monoisotopic mass
- 289.2172423
Names & identifiers
- Preferred name
- 3-Quinuclidinemethanol, alpha,alpha-dibutyl-, hydrochloride
- IUPAC
- 5-(1-azabicyclo[2.2.2]octan-3-yl)nonan-5-ol;hydrochloride
Names & synonyms
5-Nonanol, 3-quinuclidyl-, hydrochloride3-Quinuclidinemethanol, alpha,alpha-dibutyl-, hydrochloride60698-03-5RefChem:282591DTXSID909761295-(1-Azabicyclo[2.2.2]octan-3-yl)nonan-5-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
60698-03-5- PubChem CID
- 3045425
- DTXSID
DTXSID90976129
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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