1-Azabicyclo[3.3.1]nonan-3-one
Basic information
- CAS
29170-80-7- Standard SMILES
O=C1CC2CCCN(C1)C2- InChIKey
LCZITSRPFSQODU-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- 1-Azabicyclo[3.3.1]nonan-3-one
- IUPAC
- 1-azabicyclo[3.3.1]nonan-3-one
- English name
- 1-Azabicyclo[3.3.1]nonan-3-one
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
1-azabicyclo[3.3.1]nonan-3-one29170-80-7SCHEMBL3127540DTXSID20438801EBA17080AKOS026728534AB92117DB-180803EN300-118480
Database identifiers
- CAS
29170-80-7- PubChem CID
- 10374530
- DTXSID
DTXSID20438801- Nikkaji
- J36.174G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 123 · 123-125 °C
- Boiling point
- 225.7 · 225.7±23.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 7.03 · 7.03±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Related reactions
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Compound notes
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