1-METHYLISOQUINOLINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z96HOX9RT9
EPA CompTox DTXSID20870904

Structure

InChI Key PBYMYAJONQZORL-UHFFFAOYSA-N
Smiles N=1C=CC=2C=CC=CC2C1C
InChI
InChI=1/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N
Molecular Weight 143.07
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1721-93-3
NORMAN SUSDAT
FDA SRS Z96HOX9RT9
PubChem 15592
CONTENTS