2,2-Bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-ol
Basic information
- CAS
5291-31-6- Standard SMILES
OCC1(CO)C(O)C2CCN1CC2- InChIKey
DUCZTSWDCHMOFG-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- 2,2-Bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-ol
- IUPAC
- 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-ol
Names & synonyms
5291-31-62,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-olNSC2816697,7-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-8-olCHEMBL204823DTXSID80314238NSC-281669DS-005964
Database identifiers
- CAS
5291-31-6- PubChem CID
- 322969
- DTXSID
DTXSID80314238- ChEMBL
CHEMBL204823
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
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Compound notes
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