ChemSpider 2D Image | D-157495 | C21H23Cl2N5O

D-157495

  • Molecular FormulaC21H23Cl2N5O
  • Average mass432.346 Da
  • Monoisotopic mass431.127960 Da
  • ChemSpider ID32700111

More details:

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

1005504-62-0 [RN]
2,4-Quinazolinediamine, 5-[[1-[(2,6-dichlorophenyl)methyl]-4-piperidinyl]methoxy]- [ACD/Index Name]
5-((1-(2,6-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine
5-({1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl}methoxy)quinazoline-2,4-diamine
5-{[1-(2,6-Dichlorbenzyl)-4-piperidinyl]methoxy}-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
5-{[1-(2,6-Dichlorobenzyl)-4-piperidinyl]methoxy}-2,4-quinazolinediamine [ACD/IUPAC Name]
5-{[1-(2,6-Dichlorobenzyl)-4-pipéridinyl]méthoxy}-2,4-quinazolinediamine [French] [ACD/IUPAC Name]
D-157495
KSV93L7URW
Rg-3039 Free Base
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 648.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.8±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 85.61
ACD/KOC (pH 7.4): 440.34
Polar Surface Area: 90 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site


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