Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W87TPH94OB
EPA CompTox DTXSID4066547

Structure

InChI Key RIVIDPPYRINTTH-UHFFFAOYSA-N
Smiles CCNC(C)C
InChI
InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13N1
Molecular Weight 87.1
AlogP 1.0
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 19961-27-4
NORMAN SUSDAT
FDA SRS W87TPH94OB
PubChem 88318
ChemSpider 79676.0