1,2-ETHANEDIAMINE, N-ETHYL-N',N'-DIMETHYL-N-PHENYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6067335

Structure

InChI Key FWAWELGQRMERND-UHFFFAOYSA-N
Smiles CCN(CCN(C)C)c1ccccc1
InChI
InChI=1S/C12H20N2/c1-4-14(11-10-13(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2
Molecular Weight 192.16
AlogP 2.07
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 6.48
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 27692-91-7
NORMAN SUSDAT
PubChem 33984
ChemSpider 31324.0
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