Basic information
- CAS
102516-82-5- Standard SMILES
O=C(OC1C2CN3CC1CN(C2)C3)C(O)(c1ccccc1)c1ccccc1- InChIKey
VFKSRNPUBDKBLL-UHFFFAOYSA-N- Molecular formula
- C22H24N2O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17869263
Names & identifiers
- Preferred name
- Benzilic acid, 1,3-diazaadamant-6-yl ester
- IUPAC
- 1,3-diazatricyclo[3.3.1.13,7]decan-6-yl 2-hydroxy-2,2-diphenylacetate
Names & synonyms
Benzilic acid, 1,3-diazaadamant-6-yl ester1,3-Diaza-6-adamantyl benzilate102516-82-5DTXSID40145242RefChem:325744DTXCID80677331,3-Diazatricyclo[3.3.1.1~3,7~]decan-6-yl hydroxydi(phenyl)acetate
Database identifiers
- CAS
102516-82-5- PubChem CID
- 64576
- DTXSID
DTXSID40145242- Nikkaji
- J62.248F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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