Basic information
- CAS
64140-40-5- Standard SMILES
O=C(OC12CC3CC(CC(C3)C1)C2)c1ccncc1- InChIKey
CPLGGZBGOPPANE-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- Isonicotinic acid, 1-adamantyl ester
- IUPAC
- 1-adamantyl pyridine-4-carboxylate
Names & synonyms
1-Admantyl isonicotinateISONICOTINIC ACID, 1-ADAMANTYL ESTERBRN 040713664140-40-5DTXSID402143464-Pyridinecarboxylic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester5-22-02-00191 (Beilstein Handbook Reference)RefChem:349668DTXCID40136837Oprea1_421460Oprea1_543144ADAMANTAN-1-YL PYRIDINE-4-CARBOXYLATE
Show more names
SR-01000310940SR-01000310940-1
Database identifiers
- CAS
64140-40-5- PubChem CID
- 47301
- DTXSID
DTXSID40214346- Nikkaji
- J68.638G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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