Basic information
- CAS
61876-39-9- Standard SMILES
Cl.O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc[n+]([O-])cc1- InChIKey
WGWFHDMUJQZGDB-UHFFFAOYSA-N- Molecular formula
- C18H25ClN2O2
- Average molar mass
- 336.9 g/mol
- Monoisotopic mass
- 336.1604557
Names & identifiers
- Preferred name
- Isonicotinamide, N-(2-(1-adamantyl)ethyl)-, 1-oxide, hydrochloride
- IUPAC
- N-[2-(1-adamantyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide;hydrochloride
Names & synonyms
N-(2-(1-Adamantyl)ethyl)isonicotinamide 1-oxide hydrochloride61876-39-9DTXSID00210864ISONICOTINAMIDE, N-(2-(1-ADAMANTYL)ETHYL)-, 1-OXIDE, HYDROCHLORIDERefChem:349637DTXCID30133355N-[2-(Adamantan-1-yl)ethyl]-1-oxo-1lambda~5~-pyridine-4-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61876-39-9- PubChem CID
- 43832
- DTXSID
DTXSID00210864
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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