Basic information
- CAS
66928-81-2- Standard SMILES
CN1CCCCCC1COC(=O)C(c1ccccc1)c1ccccc1- InChIKey
FYFTWKQHJBLPBQ-UHFFFAOYSA-N- Molecular formula
- C22H27NO2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.2041791
Names & identifiers
- Preferred name
- (1-Methylazepan-2-yl)methyl diphenylacetate
- IUPAC
- (1-methylazepan-2-yl)methyl 2,2-diphenylacetate
Names & synonyms
66928-81-2DTXSID30985593(1-Methylazepan-2-yl)methyl diphenylacetateRefChem:1049279DTXCID8014127851-Methylhexahydro-2-azepinylmethyl diphenylacetateBRN 14903361H-Azepine-2-methanol, hexahydro-1-methyl-, diphenylacetateACETIC ACID, 2,2-DIPHENYL-, 1-METHYLHEXAHYDRO-1H-AZEPIN-2-YLMETHYL ESTER
Database identifiers
- CAS
66928-81-2- PubChem CID
- 48387
- DTXSID
DTXSID30985593- Nikkaji
- J86.186C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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