Basic information
- CAS
63382-17-2- Standard SMILES
CN(C)C1C2CC3CC1CC(OC(=O)C(c1ccccc1)c1ccccc1)(C3)C2- InChIKey
HXYCLZCFMFFDOM-UHFFFAOYSA-N- Molecular formula
- C26H31NO2
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.23547923
Names & identifiers
- Preferred name
- 4-(Dimethylamino)adamantan-1-yl diphenylacetate
- IUPAC
- [4-(dimethylamino)-1-adamantyl] 2,2-diphenylacetate
Names & synonyms
63382-17-2DTXSID109795514-(Dimethylamino)adamantan-1-yl diphenylacetateRefChem:1070108DTXCID2014068451-Diphenylacetoxy-4-dimethylaminoadamantaneBRN 2822493Benzeneacetic acid, alpha-phenyl-4-(dimethylamino)tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester
Database identifiers
- CAS
63382-17-2- PubChem CID
- 64443
- DTXSID
DTXSID10979551
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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