ChemSpider 2D Image | (1Z,4Z)-N-Ethyl-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(2-sulfophenyl)methylene]-N-(3-sulfobenzyl)-2,5-cyclohexadien-1-iminium | C37H37N2O9S3

(1Z,4Z)-N-Ethyl-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(2-sulfophenyl)methylene]-N-(3-sulfobenzyl)-2,5-cyclohexadien-1-iminium

  • Molecular FormulaC37H37N2O9S3
  • Average mass749.892 Da
  • Monoisotopic mass749.165588 Da
  • ChemSpider ID16603

  • Charge - Charge

More details:

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

(1Z,4Z)-N-Ethyl-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(2-sulfophenyl)methylen]-N-(3-sulfobenzyl)-2,5-cyclohexadien-1-iminium [German] [ACD/IUPAC Name]
(1Z,4Z)-N-Ethyl-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(2-sulfophenyl)methylene]-N-(3-sulfobenzyl)-2,5-cyclohexadien-1-iminium [ACD/IUPAC Name]
(1Z,4Z)-N-Éthyl-4-[{4-[éthyl(3-sulfobenzyl)amino]phényl}(2-sulfophényl)méthylène]-N-(3-sulfobenzyl)-2,5-cyclohexadién-1-iminium [French] [ACD/IUPAC Name]
Benzenemethanaminium, N-ethyl-N-[(1Z,4Z)-4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo- [ACD/Index Name]
11388 Blue
1206 Blue
2650-18-2 [RN]
A.F. Blue No. 1
Acid Blue 9
Acid Blue 9-Phenylmethylene-2, 5-cyclohexylidene-3-sulfophenylmethylammonium, inner salt
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS123973 [DBID]
AIDS-123973 [DBID]
C.I 42090 [DBID]
C.I. 42090 [DBID]
C.I. 671 [DBID]
LS-2494 [DBID]
NSC4318 [DBID]
NSC5018 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 195 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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