Structure

InChI Key SLINHMUFWFWBMU-UHFFFAOYSA-N
Smiles CC(O)CN(CC(C)O)CC(C)O
InChI
InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1O3
Molecular Weight 191.15
AlogP -0.57
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 63.93
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 122-20-3
NORMAN SUSDAT
FDA SRS W9EN9DLM98
PubChem 24730
ChemSpider 23121.0