Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII TNV3AA7VHH
EPA CompTox DTXSID00883577

Structure

InChI Key TZYULTYGSBAILI-UHFFFAOYSA-M
Smiles [Cl-].C=CC[N+](C)(C)C
InChI
InChI=1/C6H14N.ClH/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N
Molecular Weight 135.08
AlogP -2.12
Number of Rotational Bond 2.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1516-27-4
NORMAN SUSDAT
FDA SRS TNV3AA7VHH
PubChem 15198