Basic information
- CAS
107010-27-5- Standard SMILES
CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2- InChIKey
WOMCGBFNBSIIEA-UHFFFAOYSA-N- Molecular formula
- C23H27NO2
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.2041791
Overview
RN & structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Azaprophen
- IUPAC
- (6-methyl-6-azabicyclo[3.2.1]octan-3-yl) 2,2-diphenylpropanoate
- English name
- azaprophen
- Molecular formula
- C23H27NO2
- Molecular weight
- 349.47
Names & synonyms
Azaprophen107010-27-56-Methyl-6-azabicyclo(3.2.1)octan-3-ol 2,2-diphenylpropionateRefChem:115969CHEMBL287868DTXSID20910213BDBM500118512,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-3-yl ester6-METHYL-6-AZABICYCLO[3.2.1]OCTAN-3-YL 2,2-DIPHENYLPROPANOATE2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-3-yl ester (azaprophen)Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 6-methyl-6-azabicyclo(3.2.1)oct-3-yl ester, endo-Benzeneacetic acid, α-methyl-α-phenyl-, (1R,3R,5S)-6-methyl-6-azabicyclo[3.2.1]oct-3-yl ester, rel-
Database identifiers
- CAS
107010-27-5- PubChem CID
- 129486
- DTXSID
DTXSID20910213- ChEMBL
CHEMBL287868
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 458.318 · 458.318±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.15 · 1.150±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.29 · 9.290±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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