Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 94Y6LRJ7TC
EPA CompTox DTXSID7063899

Structure

InChI Key VXVVUHQULXCUPF-UHFFFAOYSA-N
Smiles NC1CCCCCC1
InChI
InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1
Molecular Weight 113.12
AlogP 1.67
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5452-35-7
NORMAN SUSDAT
FDA SRS 94Y6LRJ7TC
PubChem 2899
ChemSpider 2796.0