2-METHYL-8-AMINOQUINOLINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B50L4NE5JU
EPA CompTox DTXSID60172398

Structure

InChI Key JHIAOWGCGNMQKA-UHFFFAOYSA-N
Smiles Cc1ccc2cccc(N)c2n1
InChI
InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10N2
Molecular Weight 158.08
AlogP 2.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 18978-78-4
NORMAN SUSDAT
FDA SRS B50L4NE5JU
PubChem 140457
ChemSpider 123879.0
CONTENTS