N-Dodecyl-5-hydroxy-N,N-dimethyl-4-oxo-4H-pyran-2-methanaminium
Basic information
- CAS
102110-99-6- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1cc(=O)c(O)co1- InChIKey
UNNWLCJSWVQXTA-UHFFFAOYSA-O- Molecular formula
- C20H36NO3+
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.26951901
Names & identifiers
- Preferred name
- N-Dodecyl-5-hydroxy-N,N-dimethyl-4-oxo-4H-pyran-2-methanaminium
- IUPAC
- dodecyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]-dimethylazanium
Names & synonyms
NSC183910DTXSID80904532N-Dodecyl-5-hydroxy-N,N-dimethyl-4-oxo-4H-pyran-2-methanaminiumNSC-183910102110-99-6N-[(5-Hydroxy-4-oxo-4H-pyran-2-yl)methyl]-N,N-dimethyldodecan-1-aminium
Database identifiers
- CAS
102110-99-6- PubChem CID
- 415329
- DTXSID
DTXSID80904532
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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