Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII Z0TK7K977Q
EPA CompTox DTXSID0044498

Structure

InChI Key NIUZJTWSUGSWJI-UHFFFAOYSA-M
Smiles [Cl-].CC[N+](C)(CC)CC
InChI
InChI=1S/C7H18N/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H18N1
Molecular Weight 116.14
AlogP 1.49
Number of Rotational Bond 3.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 10052-47-8
NORMAN SUSDAT
FDA SRS Z0TK7K977Q
PubChem 82326
ChemSpider 63619.0