Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID40192776

Structure

InChI Key ZBDXGNXNXXPKJI-UHFFFAOYSA-N
Smiles Cl.O(N)C(C)(C)C
InChI
InChI=1/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11NO
Molecular Weight 125.06
AlogP 1.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 35.25
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 39684-28-1
NORMAN SUSDAT
PubChem 2777907