Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9WR926L6NR
EPA CompTox DTXSID2064232

Structure

InChI Key KSMVBYPXNKCPAJ-UHFFFAOYSA-N
Smiles CC1CCC(N)CC1
InChI
InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1
Molecular Weight 113.12
AlogP 1.52
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 6321-23-9
NORMAN SUSDAT
FDA SRS 9WR926L6NR
PubChem 80604
ChemSpider 72795.0