Basic information
- CAS
61876-40-2- Standard SMILES
Cl.O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc[n+]([O-])c1- InChIKey
QYJNBVGVCPBJPV-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O2
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1604557
Names & identifiers
- Preferred name
- Nicotinamide, N-(p-(1-adamantyl)phenyl)-, 1-oxide, hydrochloride
- IUPAC
- N-[4-(1-adamantyl)phenyl]-1-oxidopyridin-1-ium-3-carboxamide;hydrochloride
Names & synonyms
Nicotinamide, N-(p-(1-adamantyl)phenyl)-, 1-oxide, hydrochloride61876-40-2N-(p-(1-Adamantyl)phenyl)nicotinamide 1-oxide hydrochlorideDTXSID60210865RefChem:3655903-Pyridinecarboxamide, N-(4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl)-, 1-oxide, HClDTXCID90133356N-[4-(Adamantan-1-yl)phenyl]-1-oxo-1lambda~5~-pyridine-3-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61876-40-2- PubChem CID
- 64425
- DTXSID
DTXSID60210865
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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