9-Azabicyclo(3.3.1)nonane
Basic information
- CAS
280-97-7- Standard SMILES
C1CC2CCCC(C1)N2- InChIKey
ATPGYYPVVKZFGR-UHFFFAOYSA-N- Molecular formula
- C8H15N
- Average molar mass
- 125.21 g/mol
- Monoisotopic mass
- 125.12044948
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane
- IUPAC
- 9-azabicyclo[3.3.1]nonane
- English name
- 9-Azabicyclo[3,3,1]nonane
- Molecular formula
- C8H15N
- Molecular weight
- 125.21
Names & synonyms
9-azabicyclo[3.3.1]nonane280-97-7DTXSID603016419-Azabicyclo(3.3.1)nonaneRefChem:1074942DTXCID10252775MFCD131963889-aza-bicyclo[3.3.1]nonaneSCHEMBL282312SCHEMBL550429SCHEMBL678270SCHEMBL1289833
Show more names
Dihydrogranatenine9-Aza-bicyclo3.3.1noneAZABICYCLO[3.3.1]NONANE9-Azabicyclo[3,3,1]nonane9-Azabicyclo[3.3.1]nonane hydrochloride9-Azabicyclo[3.3.1]nonane hemioxalate, 95%
SCHEMBL4517452SCHEMBL14545648SCHEMBL16338761AKOS006238342AKOS016008721BS-13158CS-0049926EN300-85072
Database identifiers
- CAS
280-97-7- PubChem CID
- 286595
- DTXSID
DTXSID60301641- Nikkaji
- J11.399I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.7
Physicochemical properties
- Melting point
- 322 · 322-326 °C (decomp)
- Boiling point
- 55 · 55-56 °C(Press: 0.1 Torr)
- Density
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- pka
- 11.8 · 11.80±0.20(Predicted)
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36/37
- HS Code
- 29339900 · 29339900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- safety_code
- 26-36/37
Chemistry & industry
Applications
Uses9-Azabicyclo[3.3.1]nonane is used as a reactant in the preparation of azabicyclo[3.3.1]nonane N-oxyl.
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Related reactions
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Compound notes
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