Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HLR7HK4J1P
EPA CompTox DTXSID3065906

Structure

InChI Key QZQNMMLYACBCMJ-UHFFFAOYSA-N
Smiles CCCCCCCCN(CCO)CCO
InChI
InChI=1S/C12H27NO2/c1-2-3-4-5-6-7-8-13(9-11-14)10-12-15/h14-15H,2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27N1O2
Molecular Weight 217.2
AlogP 1.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 43.7
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 15520-05-5
NORMAN SUSDAT
FDA SRS HLR7HK4J1P
PubChem 84963
ChemSpider 76644.0