Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N73R4AJ22P
EPA CompTox DTXSID2059560

Structure

InChI Key WLNSKTSWPYTNLY-UHFFFAOYSA-N
Smiles CC[NH2+]CC[NH+](C)C
InChI
InChI=1S/C6H16N2/c1-4-7-5-6-8(2)3/h7H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H16N2
Molecular Weight 116.13
AlogP 0.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 15.27
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 123-83-1
NORMAN SUSDAT
FDA SRS N73R4AJ22P
PubChem 67162
ChemSpider 60507.0