8-Azabicyclo(3.2.1)octane-8-carboxaldehyde
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Basic information
- CAS
56771-95-0- Standard SMILES
O=CN1C2CCCC1CC2- InChIKey
GSOGIYLLQDBXKB-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- 8-Azabicyclo(3.2.1)octane-8-carboxaldehyde
- IUPAC
- 8-azabicyclo[3.2.1]octane-8-carbaldehyde
- English name
- 8-Azabicyclo[3.2.1]octane-8-carbaldehyde
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
8-Azabicyclo[3.2.1]octane-8-carboxaldehyde56771-95-0DTXSID503384668-Azabicyclo(3.2.1)octane-8-carboxaldehydeRefChem:311762DTXCID60289551GSOGIYLLQDBXKB-UHFFFAOYSA-N8-Azabicyclo[3.2.1]octane-8-carbaldehydeSCHEMBL6943945SCHEMBL21413598DB-3256478-Azabicyclo[3.2.1]octane-8-carbaldehyde #
Database identifiers
- CAS
56771-95-0- PubChem CID
- 549267
- DTXSID
DTXSID50338466- Nikkaji
- J114.427H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 90 · 90-98 °C
- Boiling point
- 101 °C · 101 °C(Press: 13.5 Torr)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 0.16 · 0.16±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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