Basic information
- CAS
64140-39-2- Standard SMILES
O=C(OCCC12CC3CC(CC(C3)C1)C2)c1cccnc1- InChIKey
AVSOLGBUADYZAD-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- Nicotinic acid, 2-(1-adamantyl)ethyl ester
- IUPAC
- 2-(1-adamantyl)ethyl pyridine-3-carboxylate
Names & synonyms
1-Admantylethyl nicotinateNicotinic acid, 2-(1-adamantyl)ethyl esterBRN 040744764140-39-23-Pyridinecarboxylic acid, 2-(1-admantyl)ethyl esterDTXSID802143453-Pyridinecarboxylic acid, 2-tricyclo(3.3.1.1(sup 3,7))dec-1-ylethyl esterRefChem:165753DTXCID80136836AVSOLGBUADYZAD-UHFFFAOYSA-N2-(ADAMANTAN-1-YL)ETHYL PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
64140-39-2- PubChem CID
- 64458
- DTXSID
DTXSID80214345- Nikkaji
- J68.284E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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