ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethenediamine | C20H26N4O5S

N-(1,3-Benzodioxol-5-ylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethenediamine

  • Molecular FormulaC20H26N4O5S
  • Average mass434.509 Da
  • Monoisotopic mass434.162384 Da
  • ChemSpider ID34988786

More details:






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

1,1-Ethenediamine, N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethendiamin [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethenediamine [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N'-{2-[({5-[(diméthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}-2-nitro-1,1-éthènediamine [French] [ACD/IUPAC Name]
284-304-0 [EINECS]
84845-75-0 [RN]
niperotidine [INN]
UNII-12JBD7U72K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 26.08
Polar Surface Area: 130 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 337.3±3.0 cm3

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