SODIUM 2-[[4-(DIETHYLAMINO)PHENYL]AZO]BENZOATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key YXMJFRIGFACAPU-UHFFFAOYSA-M
Smiles [Na+].O=C([O-])C=1C=CC=CC1N=NC2=CC=C(C=C2)N(CC)CC
InChI
InChI=1/C17H19N3O2.Na/c1-3-20(4-2)14-11-9-13(10-12-14)18-19-16-8-6-5-7-15(16)17(21)22;/h5-12H,3-4H2,1-2H3,(H,21,22);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19N3O2
Molecular Weight 319.13
AlogP 0.32
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 68.09
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 82065-82-5
NORMAN SUSDAT
PubChem 54832
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