Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID10988289

Structure

InChI Key BUAXCDYBNXEWEB-UHFFFAOYSA-N
Smiles CNC.ClCC1CO1
InChI
InChI=1S/C3H5ClO.C2H7N/c4-1-3-2-5-3;1-3-2/h3H,1-2H2;3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12ClNO
Molecular Weight 137.06
AlogP 0.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 24.56
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 68609-88-1
NORMAN SUSDAT
PubChem 155108