Basic information
- CAS
40131-43-9- Standard SMILES
CN1C2CCC1CC(O)(C#N)C2- InChIKey
WSYMOTWLPRNFID-UHFFFAOYSA-N- Molecular formula
- C9H14N2O
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.11061307
Names & identifiers
- Preferred name
- 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
- IUPAC
- 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
- English name
- 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
- Molecular formula
- C9H14N2O
- Molecular weight
- 166.22
Names & synonyms
3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile40131-43-98-Azabicyclo[3.2.1]octane-3-carbonitrile, 3-hydroxy-8-methyl-DTXSID70336681WSYMOTWLPRNFID-UHFFFAOYSA-NAKOS0094716453-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile #
Database identifiers
- CAS
40131-43-9- PubChem CID
- 535477
- DTXSID
DTXSID70336681- Nikkaji
- J132.949I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 334.9 · 334.9±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 10.96 · 10.96±0.20(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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