Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y8L7KC6HUB
EPA CompTox DTXSID5059373

Structure

InChI Key RILLZYSZSDGYGV-UHFFFAOYSA-N
Smiles CC(C)NCCO
InChI
InChI=1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13N1O1
Molecular Weight 103.1
AlogP -0.02
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 32.26
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 109-56-8
NORMAN SUSDAT
FDA SRS Y8L7KC6HUB
PubChem 7994
ChemSpider 6897.0