ChemSpider 2D Image | 3-Amino-5-[4-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-6-(2,2-diethylhydrazino)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl]benzoic acid | C24H29N9O5

3-Amino-5-[4-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-6-(2,2-diethylhydrazino)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl]benzoic acid

  • Molecular FormulaC24H29N9O5
  • Average mass523.544 Da
  • Monoisotopic mass523.229187 Da
  • ChemSpider ID8383847

More details:

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

3-Amino-5-[4-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-6-(2,2-diethylhydrazino)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl]benzoesäure [German] [ACD/IUPAC Name]
3-Amino-5-[4-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-6-(2,2-diethylhydrazino)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl]benzoic acid [ACD/IUPAC Name]
Acide 3-amino-5-[4-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoéthyl}-6-(2,2-diéthylhydrazino)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-5-[4-[2-[[[4-[(Z)-aminoiminomethyl]phenyl]methyl]amino]-2-oxoethyl]-6-(2,2-diethylhydrazinyl)-4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 354.3±7.0 cm3

Click to predict properties on the Chemicalize site


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