ChemSpider 2D Image | (3E)-5-({4-Chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-3-[(4-methyl-2-sulfophenyl)hydrazono]-4-oxo-3,4-dihydro-2,7-naphthalenedisulfonic acid | C27H22ClN7O10S3

(3E)-5-({4-Chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-3-[(4-methyl-2-sulfophenyl)hydrazono]-4-oxo-3,4-dihydro-2,7-naphthalenedisulfonic acid

  • Molecular FormulaC27H22ClN7O10S3
  • Average mass736.153 Da
  • Monoisotopic mass735.027893 Da
  • ChemSpider ID4676928
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3E)-5-({4-Chlor-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-3-[(4-methyl-2-sulfophenyl)hydrazono]-4-oxo-3,4-dihydro-2,7-naphthalindisulfonsäure [German] [ACD/IUPAC Name]
(3E)-5-({4-Chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-3-[(4-methyl-2-sulfophenyl)hydrazono]-4-oxo-3,4-dihydro-2,7-naphthalenedisulfonic acid [ACD/IUPAC Name]
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-3-[2-(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxo-, (3E)- [ACD/Index Name]
Acide (3E)-5-({4-chloro-6-[méthyl(phényl)amino]-1,3,5-triazin-2-yl}amino)-3-[(4-méthyl-2-sulfophényl)hydrazono]-4-oxo-3,4-dihydro-2,7-naphtalènedisulfonique [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS081181 [DBID]
AIDS-081181 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.764
Molar Refractivity: 173.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -6.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 79.9±7.0 dyne/cm
Molar Volume: 420.0±7.0 cm3

Click to predict properties on the Chemicalize site






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