Basic information
- CAS
58717-62-7- Standard SMILES
CCC(=O)OC1C(c2ccccc2)C2CCC1N(C)C2- InChIKey
SIVHYBGQEOERHA-UHFFFAOYSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.17287898
Names & identifiers
- Preferred name
- 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate
- IUPAC
- (2-methyl-5-phenyl-2-azabicyclo[2.2.2]octan-6-yl) propanoate
Names & synonyms
BRN 15425002-Methyl-6-trans-phenyl-6-cis-propionoxy-2-azabicyclo(2.2.2)octane58717-62-72-Azabicyclo(2.2.2)octane, 2-methyl-6-trans-phenyl-6-cis-propionoxy-5-21-03-00116 (Beilstein Handbook Reference)2-AZABICYCLO(2.2.2)OCTAN-6-OL, 2-METHYL-6-trans-PHENYL-, cis-PROPIONATERefChem:256124DTXSID209742392-Methyl-5-phenyl-2-azabicyclo[2.2.2]octan-6-yl propanoate
Database identifiers
- CAS
58717-62-7- PubChem CID
- 42822
- DTXSID
DTXSID20974239
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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