ChemSpider 2D Image | 4-(2-{[4-{[(3'-Chloro-2-biphenylyl)methyl]amino}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol | C28H30ClN7O

4-(2-{[4-{[(3'-Chloro-2-biphenylyl)methyl]amino}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID25029528

More details:

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

4-(2-{[4-{[(3'-Chlor-2-biphenylyl)methyl]amino}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol [German] [ACD/IUPAC Name]
4-(2-{[4-{[(3'-Chloro-2-biphenylyl)methyl]amino}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol [ACD/IUPAC Name]
4-(2-{[4-{[(3'-Chloro-2-biphénylyl)méthyl]amino}-6-(1-pipérazinyl)-1,3,5-triazin-2-yl]amino}éthyl)phénol [French] [ACD/IUPAC Name]
Phenol, 4-[2-[[4-[[(3'-chloro[1,1'-biphenyl]-2-yl)methyl]amino]-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino]ethyl]- [ACD/Index 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: 778.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 424.7±35.7 °C
Index of Refraction: 1.686
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 57.11
ACD/KOC (pH 7.4): 328.42
Polar Surface Area: 98 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

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