ChemSpider 2D Image | N,N-Dimethyl(5-{[(2-{[(E)-1-(methylamino)-2-nitrovinyl]amino}ethyl)sulfanyl]methyl}-2-furyl)methanaminium | C13H23N4O3S

N,N-Dimethyl(5-{[(2-{[(E)-1-(methylamino)-2-nitrovinyl]amino}ethyl)sulfanyl]methyl}-2-furyl)methanaminium

  • Molecular FormulaC13H23N4O3S
  • Average mass315.411 Da
  • Monoisotopic mass315.148529 Da
  • ChemSpider ID21258783
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-, conjugate monoacid, (E)- [ACD/Index Name]
N,N-Dimethyl(5-{[(2-{[(E)-1-(methylamino)-2-nitrovinyl]amino}ethyl)sulfanyl]methyl}-2-furyl)methanaminium [ACD/IUPAC Name]
N,N-Dimethyl(5-{[(2-{[(E)-1-(methylamino)-2-nitrovinyl]amino}ethyl)sulfanyl]methyl}-2-furyl)methanaminium [German] [ACD/IUPAC Name]
N,N-Diméthyl(5-{[(2-{[(E)-1-(méthylamino)-2-nitrovinyl]amino}éthyl)sulfanyl]méthyl}-2-furyl)méthanaminium [French] [ACD/IUPAC Name]

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

Density:
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:
Molar Refractivity:
#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: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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