Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6065002

Structure

InChI Key XFFUBBGUJSBONN-UHFFFAOYSA-N
Smiles CC(C)(C)NCl
InChI
InChI=1S/C4H10ClN/c1-4(2,3)6-5/h6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10Cl1N1
Molecular Weight 107.05
AlogP 1.53
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 10218-88-9
NORMAN SUSDAT
PubChem 82459
ChemSpider 74417.0