Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6DJ4WBU9P5
EPA CompTox DTXSID1025063

Structure

InChI Key BNODIVYXTGTUPS-UHFFFAOYSA-N
Smiles O=C(N(C)C)CCCC
InChI
InChI=1/C7H15NO/c1-4-5-6-7(9)8(2)3/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO
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 6225-06-5
NORMAN SUSDAT
FDA SRS 6DJ4WBU9P5
PubChem 80365