Basic information
- CAS
61876-28-6- Standard SMILES
Cl.O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccncc1- InChIKey
RDGGZIFGTIVBQR-UHFFFAOYSA-N- Molecular formula
- C18H25ClN2O
- Average molar mass
- 320.9 g/mol
- Monoisotopic mass
- 320.1655411
Names & identifiers
- Preferred name
- Isonicotinamide, N-(2-(1-adamantyl)ethyl)-, hydrochloride
- IUPAC
- N-[2-(1-adamantyl)ethyl]pyridine-4-carboxamide;hydrochloride
Names & synonyms
N-(2-(1-Adamantyl)ethyl)isonicotinamide hydrochloride61876-28-6ISONICOTINAMIDE, N-(2-(1-ADAMANTYL)ETHYL)-, HYDROCHLORIDEDTXSID30210857RefChem:349638DTXCID60133348N-[2-(Adamantan-1-yl)ethyl]pyridine-4-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61876-28-6- PubChem CID
- 43822
- DTXSID
DTXSID30210857
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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