Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FDI976OYAS
EPA CompTox DTXSID4029195

Structure

InChI Key JEGMWWXJUXDNJN-UHFFFAOYNA-N
Smiles C[C@H]1CCCNC1
InChI
InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1
Molecular Weight 99.1
AlogP 1.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 626-56-2
NORMAN SUSDAT
FDA SRS FDI976OYAS
ChemSpider 62589.0