Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7BR4UPN25Q
EPA CompTox DTXSID5066116

Structure

InChI Key CLJMMQGDJNYDER-UHFFFAOYSA-N
Smiles CCCC(N)CCC
InChI
InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N1
Molecular Weight 115.14
AlogP 1.91
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 16751-59-0
NORMAN SUSDAT
FDA SRS 7BR4UPN25Q
PubChem 38665
ChemSpider 35427.0