1,2-ETHANEDIAMINE, N'-[2-(DIMETHYLAMINO)ETHYL]-N,N-DIMETHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0068236

Structure

InChI Key JPJMSWSYYHNPLD-UHFFFAOYSA-N
Smiles CN(C)CCNCCN(C)C
InChI
InChI=1S/C8H21N3/c1-10(2)7-5-9-6-8-11(3)4/h9H,5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H21N3
Molecular Weight 159.17
AlogP -0.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 18.51
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 40538-81-6
NORMAN SUSDAT
PubChem 97514
ChemSpider 88013.0
CONTENTS