ChemSpider 2D Image | (E)-N-[2-({[5-({Bis[(~2~H_3_)methyl]amino}methyl)-2-furyl]methyl}sulfanyl)ethyl]-N'-methyl-2-nitro-1,1-ethenediamine | C13H16D6N4O3S

(E)-N-[2-({[5-({Bis[(2H3)methyl]amino}methyl)-2-furyl]methyl}sulfanyl)ethyl]-N'-methyl-2-nitro-1,1-ethenediamine

  • Molecular FormulaC13H16D6N4O3S
  • Average mass320.441 Da
  • Monoisotopic mass320.178925 Da
  • ChemSpider ID44211177
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(E)-N-[2-({[5-({Bis[(2H3)methyl]amino}methyl)-2-furyl]methyl}sulfanyl)ethyl]-N'-methyl-2-nitro-1,1-ethendiamin [German] [ACD/IUPAC Name]
(E)-N-[2-({[5-({Bis[(2H3)methyl]amino}methyl)-2-furyl]methyl}sulfanyl)ethyl]-N'-methyl-2-nitro-1,1-ethenediamine [ACD/IUPAC Name]
(E)-N-[2-({[5-({Bis[(2H3)méthyl]amino}méthyl)-2-furyl]méthyl}sulfanyl)éthyl]-N'-méthyl-2-nitro-1,1-éthènediamine [French] [ACD/IUPAC Name]
1,1-Ethenediamine, N-[2-[[[5-[(dimethyl-d3-amino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-, (E)- [ACD/Index Name]
(E)-1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
1185514-83-3 [RN]
ranitidine-d6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 437.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 218.2±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.77
Polar Surface Area: 112 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 265.4±3.0 cm3

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