Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HM6AM6A7UM
EPA CompTox DTXSID90170084

Structure

InChI Key INDIALLCZKIHFF-UHFFFAOYSA-N
Smiles CCN(CC)c1ccc(O)cc1
InChI
InChI=1S/C10H15NO/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5-8,12H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1O1
Molecular Weight 165.12
AlogP 2.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 23.47
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 17609-82-4
NORMAN SUSDAT
FDA SRS HM6AM6A7UM
PubChem 87185
ChemSpider 78648.0