Found 19 results

Search term: MF = 'C_{29}H_{37}N_{9}O'
ChemSpider 2D Image | 6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-[4-(hexyloxy)phenyl]-2-(3-pyridinyl)-4-pyrimidinamine | C29H37N9O

6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-[4-(hexyloxy)phenyl]-2-(3-pyridinyl)-4-pyrimidinamine

  • Molecular FormulaC29H37N9O
  • Average mass527.664 Da
  • Monoisotopic mass527.312134 Da
  • ChemSpider ID121639499

More details:

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

4-Pyrimidinamine, 6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-[4-(hexyloxy)phenyl]-2-(3-pyridinyl)- [ACD/Index Name]
6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-[4-(hexyloxy)phenyl]-2-(3-pyridinyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-[4-(hexyloxy)phenyl]-2-(3-pyridinyl)-4-pyrimidinamine [ACD/IUPAC Name]
6-[4-(4,5-Diméthyl-4H-1,2,4-triazol-3-yl)-1-pipérazinyl]-N-[4-(hexyloxy)phényl]-2-(3-pyridinyl)-4-pyrimidinamine [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: 689.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 18.71
ACD/KOC (pH 5.5): 77.01
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1463.10
ACD/KOC (pH 7.4): 6021.35
Polar Surface Area: 97 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

Click to predict properties on the Chemicalize site


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