ChemSpider 2D Image | N-[(1R)-2,2,2-Trichloro-1-{4-[(1S)-2,2,2-trichloro-1-formamidoethyl]-1-piperazinyl}ethyl]formamide | C10H14Cl6N4O2

N-[(1R)-2,2,2-Trichloro-1-{4-[(1S)-2,2,2-trichloro-1-formamidoethyl]-1-piperazinyl}ethyl]formamide

  • Molecular FormulaC10H14Cl6N4O2
  • Average mass434.962 Da
  • Monoisotopic mass431.924805 Da
  • ChemSpider ID34992425

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Formamide, N-[(1R)-2,2,2-trichloro-1-[4-[(1S)-2,2,2-trichloro-1-(formylamino)ethyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
N-[(1R)-2,2,2-Trichlor-1-{4-[(1S)-2,2,2-trichlor-1-formamidoethyl]-1-piperazinyl}ethyl]formamid [German] [ACD/IUPAC Name]
N-[(1R)-2,2,2-Trichloro-1-{4-[(1S)-2,2,2-trichloro-1-formamidoethyl]-1-piperazinyl}ethyl]formamide [ACD/IUPAC Name]
N-[(1R)-2,2,2-Trichloro-1-{4-[(1S)-2,2,2-trichloro-1-formamidoéthyl]-1-pipérazinyl}éthyl]formamide [French] [ACD/IUPAC Name]
247-872-0 [EINECS]
26644-46-2 [RN]
Triforine [BSI] [ISO]
UNII-N1A4W8U0HH

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

Density: 1.6±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.4±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.98
ACD/KOC (pH 5.5): 1102.65
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.08
ACD/KOC (pH 7.4): 1103.52
Polar Surface Area: 65 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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