Basic information
- Standard SMILES
CCCCOCc1c(CO)cnc(C)c1O- InChIKey
RWJPXOBTSCURFW-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 4-(Butoxymethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
- IUPAC
- 4-(butoxymethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Names & synonyms
4-(butoxymethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol4-ButoxymethylpyridoxolDTXSID60876980
Database identifiers
- PubChem CID
- 426751
- DTXSID
DTXSID60876980- Nikkaji
- J3.649.244I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
LogP1.34
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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