Basic information
- CAS
28281-22-3- Standard SMILES
O=C1C2CCN(CC2)C1Cc1ccccc1- InChIKey
UGYHGZBKZOGBMP-UHFFFAOYSA-N- Molecular formula
- C14H17NO
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.13101417
Names & identifiers
- Preferred name
- 2-Benzyl-1-azabicyclo[2.2.2]octan-3-one
- IUPAC
- 2-benzyl-1-azabicyclo[2.2.2]octan-3-one
- English name
- 2-benzylquinuclidin-3-one
- Molecular formula
- C14H17NO
- Molecular weight
- 215.29
Names & synonyms
2-benzyl-1-azabicyclo[2.2.2]octan-3-one28281-22-32-benzylquinuclidin-3-one2-benzyl-3-oxoquinuclidineSCHEMBL2858739CHEMBL4455787UGYHGZBKZOGBMP-UHFFFAOYSA-NNSC132880AKOS000425264NSC-1328802-(Phenylmethyl)-1-azabicyclo[2.2.2]octan-3-one1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethyl)-
Database identifiers
- CAS
28281-22-3- PubChem CID
- 280751
- ChEMBL
CHEMBL4455787- Nikkaji
- J1.261.775E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 342 · 342.0±25.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 6.73 · 6.73±0.40(Predicted)
Chemistry & industry
Suppliers1 total
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
Related reactions
1 records
Compound notes
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