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Substance Name: Acetamide, N-(2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-5-((2-cyanoethyl)-2-propen-1-ylamino)-4-methoxyphenyl)-
RN: 68877-63-4
InChIKey: WUAQCCUTLFMZFP-OCEACIFDSA-N

Molecular Formula

  • C21-H20-Br-N7-O6

Molecular Weight

  • 546.336
 
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Names and Synonyms

Synonyms

  • EINECS 272-569-5
  • N-(2-((2-Bromo-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)-2-propenylamino)-4-methoxyphenyl)acetamide

Systematic Names

  • Acetamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)-2-propenylamino)-4-methoxyphenyl)-
  • Acetamide, N-(2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-5-((2-cyanoethyl)-2-propen-1-ylamino)-4-methoxyphenyl)-
  • N-(2-((2-Bromo-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide

Registry Numbers

CAS Registry Number

  • 68877-63-4

System Generated Number

  • 0068877634

Structure Descriptors

InChI

1S/C21H20BrN7O6/c1-4-7-27(8-5-6-23)18-11-16(24-13(2)30)17(12-20(18)35-3)25-26-21-15(22)9-14(28(31)32)10-19(21)29(33)34/h4,9-12H,1,5,7-8H2,2-3H3,(H,24,30)/b26-25+

InChIKey

WUAQCCUTLFMZFP-OCEACIFDSA-N

Smiles

c1(c(cc(\N=N\c2c(cc([N+](=O)[O-])cc2Br)[N+](=O)[O-])c(c1)NC(C)=O)OC)N(CCC#N)CC=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.4 (none)   EXP
Water Solubility 6.88E-04 mg/L 25 EXP
Vapor Pressure 4.68E-17 mm Hg 25 EST
Henry's Law Constant 7.11E-23 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.37E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.