Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VRR3T9QR54
EPA CompTox DTXSID8060749

Structure

InChI Key LDSQQXKSEFZAPE-UHFFFAOYSA-N
Smiles OCCC1CC[NH2+]CC1
InChI
InChI=1S/C7H15NO/c9-6-3-7-1-4-8-5-2-7/h7-9H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O1
Molecular Weight 129.12
AlogP 0.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 32.26
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 622-26-4
NORMAN SUSDAT
FDA SRS VRR3T9QR54
PubChem 73953
ChemSpider 1189.0