4-(Butyliminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

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Basic information

CAS: 7146-98-7
Standard SMILES: CCCCN=Cc1c(CO)cnc(C)c1O
InChIKey: BDZDJYSJICJGJN-UHFFFAOYSA-N
Molecular formula: C12H18N2O2
Average molar mass: 222.28 g/mol
Monoisotopic mass: 222.13682782

Names & identifiers

Preferred name: 4-(Butyliminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
IUPAC: 4-(butyliminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

Names & synonyms

NSC671097146-98-7NCIOpen2_003190DTXSID70418173NSC-67109DS-0144063-Pyridinemethanol,4-[(butylimino)methyl]-5-hydroxy-6-methyl-(4E)-4-[(Butylamino)methylidene]-5-(hydroxymethyl)-2-methylpyridin-3(4H)-one

Database identifiers

CAS: 7146-98-7
PubChem CID: 249126
DTXSID: DTXSID70418173

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 221

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Compound notes

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