ChemSpider 2D Image | REACTIVE RED 1 DYE | C19H16N8O10S3

REACTIVE RED 1 DYE

  • Molecular FormulaC19H16N8O10S3
  • Average mass612.573 Da
  • Monoisotopic mass612.015137 Da
  • ChemSpider ID20131149

  • Double-bond stereo - Double-bond stereo

More details:

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

2,7-Naphthalenedisulfonic acid, 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-2-(2-sulfophenyl)diazenyl]- [ACD/Index Name]
5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID
5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
5-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid [ACD/IUPAC Name]
5-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophenyl)diazenyl]-2,7-naphthalindisulfonsäure [German] [ACD/IUPAC Name]
Acide 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophényl)diazényl]-2,7-naphtalènedisulfonique [French] [ACD/IUPAC Name]
REACTIVE RED 1 DYE
5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
5-[(diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-2-(2-sulfophenyl)diazen-1-yl]naphthalene-2,7-disulfonic acid
RR1
  • Miscellaneous

    • Chemical Class:

      A triamino-1,3,5-triazine having a polysubstituted naphthalene group attached to one of the exocyclic nitrogens. ChEBI CHEBI:45457

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.875
Molar Refractivity: 134.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -5.09
ACD/LogD (pH 5.5): -9.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 115.0±7.0 dyne/cm
Molar Volume: 295.5±7.0 cm3

Click to predict properties on the Chemicalize site


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