Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 79WCR09M2C

Structure

InChI Key BZKRACMUAUSOKR-UHFFFAOYSA-N
Smiles C[N+](C)(C)CCO[N+]([O-])=O.[O-][Cl](=O)(=O)=O
InChI
InChI=1S/C5H13N2O3/c1-7(2,3)4-5-10-6(8)9/h4-5H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13N2O3
Molecular Weight 149.09
AlogP -0.1
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 52.37
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 7009-91-8
NORMAN SUSDAT
FDA SRS 79WCR09M2C