Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID90975435

Structure

InChI Key ONZMGKDDADKPOJ-UHFFFAOYSA-N
Smiles [Cl-].ClCCC1CCCC[NH2+]1
InChI
InChI=1/C7H14ClN.ClH/c8-5-4-7-3-1-2-6-9-7;/h7,9H,1-6H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14ClN
Molecular Weight 183.06
AlogP 2.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 60012-49-9
NORMAN SUSDAT
PubChem 3017168