ChemSpider 2D Image | 1,1'-(4-Methyl-1,3-phenylene)bis[4-(2-pyridinyl)-2-piperazinecarboxylic acid] | C27H30N6O4

1,1'-(4-Methyl-1,3-phenylene)bis[4-(2-pyridinyl)-2-piperazinecarboxylic acid]

  • Molecular FormulaC27H30N6O4
  • Average mass502.565 Da
  • Monoisotopic mass502.232849 Da
  • ChemSpider ID3361620

More details:

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

1,1'-(4-Methyl-1,3-phenylen)bis[4-(2-pyridinyl)-2-piperazincarbonsäure] [German] [ACD/IUPAC Name]
1,1'-(4-Methyl-1,3-phenylene)bis[4-(2-pyridinyl)-2-piperazinecarboxylic acid] [ACD/IUPAC Name]
2-Piperazinecarboxylic acid, 1,1'-(4-methyl-1,3-phenylene)bis[4-(2-pyridinyl)- [ACD/Index Name]
Acide 1,1'-(4-méthyl-1,3-phénylène)bis[4-(2-pyridinyl)-2-pipérazinecarboxylique] [French] [ACD/IUPAC Name]
1-[5-(2-carboxy-4-(2-pyridyl)piperazinyl)-2-methylphenyl]-4-(2-pyridyl)piperazine-2-carboxylic acid
1-{5-[2-CARBOXY-4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]-2-METHYLPHENYL}-4-(PYRIDIN-2-YL)PIPERAZINE-2-CARBOXYLIC ACID
337511-96-3 [RN]
MFCD00798559
N,N-(2,4-TOLUENE)BIS-4-(2-PYRIDINYL)-2-PIPERAZINECARBOXYLIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 829.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.7±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 371.7±3.0 cm3

Click to predict properties on the Chemicalize site


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