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

Structure

InChI Key CPQFGECQYJPNCI-UHFFFAOYSA-N
Smiles [Cl-].OCC1CC[NH2+]CC1
InChI
InChI=1/C6H13NO.ClH/c8-5-6-1-3-7-4-2-6;/h6-8H,1-5H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO
Molecular Weight 151.08
AlogP 0.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 32.26
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 62302-28-7
NORMAN SUSDAT
PubChem 420771