Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII 5RY0UWH1JL
EPA CompTox DTXSID10220252

Structure

InChI Key RSDOPYMFZBJHRL-UHFFFAOYSA-N
Smiles O=C1CCCN1CC#CCN1CCCC1
InChI
InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N2O1
Molecular Weight 206.14
AlogP 0.71
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 23.55
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 70-22-4
NORMAN SUSDAT
FDA SRS 5RY0UWH1JL
PubChem 4630
ChemSpider 4469.0