Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZC49N9GJJ2
EPA CompTox DTXSID2020680

Structure

InChI Key QXNDZONIWRINJR-UHFFFAOYSA-N
Smiles C1CCCNCCC1
InChI
InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1
Molecular Weight 113.12
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1121-92-2
NORMAN SUSDAT
FDA SRS ZC49N9GJJ2
PubChem 14276
ChemSpider 13638.0