Nicotinic acid, 1-adamantylmethyl ester
Basic information
- CAS
24813-27-2- Standard SMILES
O=C(OCC12CC3CC(CC(C3)C1)C2)c1cccnc1- InChIKey
UUEREIOEDCBBID-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- Nicotinic acid, 1-adamantylmethyl ester
- IUPAC
- 1-adamantylmethyl pyridine-3-carboxylate
Names & synonyms
Nicotinic acid, 1-adamantylmethyl ester1-Admantylmethyl nicotinateBRN 040529724813-27-2DTXSID301795165-22-02-00062 (Beilstein Handbook Reference)3-Pyridinecarboxylic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl esterRefChem:165752DTXCID90102007UUEREIOEDCBBID-UHFFFAOYSA-N1-adamanTYLMETHYL NICOTINATE(ADAMANTAN-1-YL)METHYL PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
24813-27-2- PubChem CID
- 64198
- DTXSID
DTXSID30179516- Nikkaji
- J68.285C
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 351
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Compound notes
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