PYRIDINE, 2-BUTYL-4-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FE3QPV8LRQ
EPA CompTox DTXSID5074349

Structure

InChI Key UCAKJZWZXQHUMY-UHFFFAOYSA-N
Smiles CCCCc1nccc(C)c1
InChI
InChI=1S/C10H15N/c1-3-4-5-10-8-9(2)6-7-11-10/h6-8H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.73
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 6304-31-0
NORMAN SUSDAT
FDA SRS FE3QPV8LRQ
PubChem 80555
ChemSpider 72748.0
CONTENTS