3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile

CAS Registry Number®

68133-69-7
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CAS Name

3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile

Molecular Formula

C20H18N6O4S

Molecular Mass

438.46

Cite this Page

3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=68133-69-7 (retrieved 2024-05-08) (CAS RN: 68133-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3

InChIKey

InChIKey=ZNUBBVSUTSNSIM-UHFFFAOYSA-N

SMILES

N(=NC1=CC=C(N(CCOC(C)=O)CCC#N)C=C1)C=2SC=3C(N2)=CC=C(N(=O)=O)C3

Canonical SMILES

N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(=CC3S2)N(=O)=O)C=C1)CCOC(=O)C

Other Names for this Substance

  • Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-
  • Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-
  • Propionitrile, 3-[N-(2-hydroxyethyl)-p-[(6-nitro-2-benzothiazolyl)azo]anilino]-, acetate
  • 3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile
  • C.I. 11122

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Deleted or Replaced CAS Registry Numbers

58051-98-2

CAS INSIGHTSTM
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