Basic information
- CAS
61876-35-5- Standard SMILES
Cl.O=C(NC12CC3CC(CC(C3)C1)C2)c1cc[n+]([O-])cc1- InChIKey
FMTARHPSVMMXJE-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O2
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.1291556
Names & identifiers
- Preferred name
- Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride
- IUPAC
- N-(1-adamantyl)-1-oxidopyridin-1-ium-4-carboxamide;hydrochloride
Names & synonyms
ISONICOTINAMIDE, N-(1-ADAMANTYL)-, 1-OXIDE, HYDROCHLORIDE61876-35-5DTXSID40210863N-(1-Adamantyl)nicotinamide 1-oxide hydrochlorideRefChem:3496354-Pyridinecarboxamide, N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 1-oxide, monohydrochlorideDTXCID70133354N-(Adamantan-1-yl)-1-oxo-1lambda~5~-pyridine-4-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61876-35-5- PubChem CID
- 43824
- DTXSID
DTXSID40210863
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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