Basic information
- CAS
64140-41-6- Standard SMILES
O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccncc1- InChIKey
DWZKGLSNCOFPKI-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- (Adamantan-1-yl)methyl pyridine-4-carboxylate
- IUPAC
- 1-adamantylmethyl pyridine-4-carboxylate
Names & synonyms
64140-41-6DTXSID90982644(ADAMANTAN-1-YL)METHYL PYRIDINE-4-CARBOXYLATERefChem:1050784DTXCID801409904Isonicotinic acid, 1-adamantylmethyl ester1-Admantylmethyl isonicotinateBRN 0405299ISONICOTINIC ACID, (1-ADAMANTYL)METHYL ESTERDWZKGLSNCOFPKI-UHFFFAOYSA-N4-Pyridinecarboxylic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl ester
Database identifiers
- CAS
64140-41-6- PubChem CID
- 47302
- DTXSID
DTXSID90982644- Nikkaji
- J68.640I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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