Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BKE4K6N7IF
EPA CompTox DTXSID8043868

Structure

InChI Key YMDNODNLFSHHCV-UHFFFAOYSA-N
Smiles CCN(CC)CCCl.[H+]
InChI
InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14Cl1N1
Molecular Weight 135.08
AlogP 1.57
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 100-35-6
NORMAN SUSDAT
FDA SRS BKE4K6N7IF
PubChem 13364
ChemSpider 12794.0