Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9PDE9UF6KX
EPA CompTox DTXSID70915652

Structure

InChI Key XREQPOSOCDVJEU-UHFFFAOYSA-N
Smiles O=C(N(C)C)C(CC)C(C)CC
InChI
InChI=1/C10H21NO/c1-6-8(3)9(7-2)10(12)11(4)5/h8-9H,6-7H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21NO
Molecular Weight 171.16
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.31
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 94333-43-4
NORMAN SUSDAT
FDA SRS 9PDE9UF6KX
PubChem 3024321