ChemSpider 2D Image | 6-(4-Methyl-1-piperazinyl)-N-(3-nitrophenyl)-N'-[4-(1-pyrrolidinyl)butyl]-1,3,5-triazine-2,4-diamine | C22H33N9O2

6-(4-Methyl-1-piperazinyl)-N-(3-nitrophenyl)-N'-[4-(1-pyrrolidinyl)butyl]-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC22H33N9O2
  • Average mass455.556 Da
  • Monoisotopic mass455.275726 Da
  • ChemSpider ID124550224

More details:

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

1,3,5-Triazine-2,4-diamine, 6-(4-methyl-1-piperazinyl)-N2-(3-nitrophenyl)-N4-[4-(1-pyrrolidinyl)butyl]- [ACD/Index Name]
6-(4-Methyl-1-piperazinyl)-N-(3-nitrophenyl)-N'-[4-(1-pyrrolidinyl)butyl]-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-(4-Methyl-1-piperazinyl)-N-(3-nitrophenyl)-N'-[4-(1-pyrrolidinyl)butyl]-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-(4-Méthyl-1-pipérazinyl)-N-(3-nitrophényl)-N'-[4-(1-pyrrolidinyl)butyl]-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.5±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 355.1±3.0 cm3

Click to predict properties on the Chemicalize site


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