Basic information
- CAS
15794-92-0- Standard SMILES
Cc1c[n+](CCc2ccc(O)cc2)cc2c1CCC2C- InChIKey
CKHCFVWFFIHGMT-UHFFFAOYSA-O- Molecular formula
- C18H22NO+
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.17013933
Names & identifiers
- Preferred name
- N-(p-Nydroxyphenethyl)actinidine
- IUPAC
- 4-[2-(4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl)ethyl]phenol
Names & synonyms
N-(p-Nydroxyphenethyl)actinidineN-(p-Hydroxyphenethyl) actinidine
Database identifiers
- CAS
15794-92-0- PubChem CID
- 3536737
- Nikkaji
- J411.868E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 311
Experimental & physicochemical properties
Melting Point201 - 203 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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