Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5XL5MAT8H6
EPA CompTox DTXSID80197240

Structure

InChI Key BIHLHMHULOMJLI-UHFFFAOYSA-N
Smiles OCCCN(CCO)CCO
InChI
InChI=1S/C7H17NO3/c9-5-1-2-8(3-6-10)4-7-11/h9-11H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N1O3
Molecular Weight 163.12
AlogP -1.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 63.93
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4767-14-0
NORMAN SUSDAT
FDA SRS 5XL5MAT8H6
PubChem 3034149
ChemSpider 2298657.0