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Search term: ARSAQZQCCQIFRU-XKZIYDEJSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (Z)-N,N'-Bis{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-1-nitro-1,2-ethenediamine | C22H35N5O4S2

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

  • Molecular FormulaC22H35N5O4S2
  • Average mass497.674 Da
  • Monoisotopic mass497.213043 Da
  • ChemSpider ID23112307
  • Double-bond stereo - Double-bond stereo


More details:






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

(Z)-N,N'-Bis{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-1-nitro-1,2-ethendiamin [German] [ACD/IUPAC Name]
(Z)-N,N'-Bis{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-1-nitro-1,2-ethenediamine [ACD/IUPAC Name]
(Z)-N,N'-Bis{2-[({5-[(diméthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}-1-nitro-1,2-éthènediamine [French] [ACD/IUPAC Name]
1,2-Ethenediamine, N1,N2-bis[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-1-nitro-, (Z)- [ACD/Index Name]
(Z)-N,N'-bis{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-1-nitroethene-1,2-diamine
N-((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)l-N-[1-(((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)amino)-2-nitrovinyl]amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.90
Polar Surface Area: 153 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 412.5±3.0 cm3

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