Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5HT4KLE3HM
EPA CompTox DTXSID30181492

Structure

InChI Key UNBDDZDKBWPHAX-UHFFFAOYSA-N
Smiles CC(C)N(C=O)C(C)C
InChI
InChI=1S/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O1
Molecular Weight 129.12
AlogP 1.26
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2700-30-3
NORMAN SUSDAT
FDA SRS 5HT4KLE3HM
PubChem 75912
ChemSpider 68417.0