ChemSpider 2D Image | Evans blue free acid | C34H28N6O14S4

Evans blue free acid

  • Molecular FormulaC34H28N6O14S4
  • Average mass872.878 Da
  • Monoisotopic mass872.054626 Da
  • ChemSpider ID10673578

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Naphthalenedisulfonic acid, 6,6'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)di(E)-2,1-diazenediyl]bis[4-amino-5-hydroxy- [ACD/Index Name]
6,6'-[(3,3'-Dimethyl-4,4'-biphenyldiyl)di(E)-2,1-diazendiyl]bis(4-amino-5-hydroxy-1,3-naphthalindisulfonsäure) [German] [ACD/IUPAC Name]
6,6'-[(3,3'-Dimethyl-4,4'-biphenyldiyl)di(E)-2,1-diazenediyl]bis(4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid) [ACD/IUPAC Name]
6,6'-[(3,3'-dimethylbiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
6968-33-8 [RN]
Acide 6,6'-[(3,3'-diméthyl-4,4'-biphényldiyl)di(E)-2,1-diazènediyl]bis(4-amino-5-hydroxy-1,3-naphtalènedisulfonique) [French] [ACD/IUPAC Name]
Evans blue free acid
1,3-Naphthalenedisulfonic acid, 6,6'-[(3,3'-dimethyl [1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxy-
6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
Bis[4-Amino-5-hydroxy-6-o-tolylazo-naphthalene-1,3-disulfonic acid](Evans blue)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D56DN867MV [DBID]
NSC 8680 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.788
Molar Refractivity: 203.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.21
ACD/LogD (pH 5.5): -6.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 393 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 87.6±7.0 dyne/cm
Molar Volume: 482.1±7.0 cm3

Click to predict properties on the Chemicalize site


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