ChemSpider 2D Image | 6-Ethyl-5-[3-(4-methoxy-3-biphenylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine | C22H22N4O

6-Ethyl-5-[3-(4-methoxy-3-biphenylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine

  • Molecular FormulaC22H22N4O
  • Average mass358.436 Da
  • Monoisotopic mass358.179352 Da
  • ChemSpider ID26361991

More details:

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

2,4-Pyrimidinediamine, 6-ethyl-5-[3-(4-methoxy[1,1'-biphenyl]-3-yl)-1-propyn-1-yl]- [ACD/Index Name]
6-Ethyl-5-[3-(4-methoxy-3-biphenylyl)-1-propin-1-yl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Ethyl-5-[3-(4-methoxy-3-biphenylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Éthyl-5-[3-(4-méthoxy-3-biphénylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-Ethyl-5-[3-(4-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine
5DR
97759-27-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 51.92
ACD/KOC (pH 5.5): 271.69
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 662.67
ACD/KOC (pH 7.4): 3467.40
Polar Surface Area: 87 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement