Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6YO81D7ST6
EPA CompTox DTXSID9020459

Structure

InChI Key AJFDBNQQDYLMJN-UHFFFAOYSA-N
Smiles CCN(CC)C(=O)C
InChI
InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O1
Molecular Weight 115.1
AlogP 0.87
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.31
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 685-91-6
NORMAN SUSDAT
FDA SRS 6YO81D7ST6
PubChem 12703
ChemSpider 12181.0