Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RD6ZHB3ALZ
EPA CompTox DTXSID40209277

Structure

InChI Key UBLYEVLMRSPMOG-UHFFFAOYSA-N
Smiles NCC1CCCC1
InChI
InChI=1/C6H13N/c7-5-6-3-1-2-4-6/h6H,1-5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N
Molecular Weight 99.1
AlogP 1.14
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 6053-81-2
NORMAN SUSDAT
FDA SRS RD6ZHB3ALZ
PubChem 80153