4-Tridecylpyridine-N-oxide
Basic information
- CAS
22202-50-2- Standard SMILES
CCCCCCCCCCCCCc1cc[n+]([O-])cc1- InChIKey
JGUZOCJCNMVJHU-UHFFFAOYSA-N- Molecular formula
- C18H31NO
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.24056461
Names & identifiers
- Preferred name
- 4-Tridecylpyridine-N-oxide
- IUPAC
- 1-oxido-4-tridecylpyridin-1-ium
Names & synonyms
4-TRIDECYLPYRIDINE-N-OXIDE8K6KT5H8INPyridine, 4-tridecyl-, 1-oxide22202-50-24-Tridecylpyridine 1-oxideUNII-8K6KT5H8IN
Database identifiers
- CAS
22202-50-2- PubChem CID
- 31038
- UNII
- 8K6KT5H8IN
- Nikkaji
- J1.466.132H
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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