ChemSpider 2D Image | N-(Cyclopropylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethenediamine | C16H26N4O3S

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

  • Molecular FormulaC16H26N4O3S
  • Average mass354.468 Da
  • Monoisotopic mass354.172546 Da
  • ChemSpider ID34992175

More details:

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

1,1-Ethenediamine, N-(cyclopropylmethyl)-N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro- [ACD/Index Name]
N-(Cyclopropylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethendiamin [German] [ACD/IUPAC Name]
N-(Cyclopropylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethenediamine [ACD/IUPAC Name]
N-(Cyclopropylméthyl)-N'-{2-[({5-[(diméthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}-2-nitro-1,1-éthènediamine [French] [ACD/IUPAC Name]
202288-30-0 [RN]
JB-9315
UNII-LX41QKX2EA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.5±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.09
Polar Surface Area: 112 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

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