ChemSpider 2D Image | 2-[4-({3-Allyl-5-[(diethylamino)methyl]-4-hydroxyphenyl}amino)-6-methyl-2-pyrimidinyl]-1-(3,4-dichlorophenyl)guanidine | C26H31Cl2N7O

2-[4-({3-Allyl-5-[(diethylamino)methyl]-4-hydroxyphenyl}amino)-6-methyl-2-pyrimidinyl]-1-(3,4-dichlorophenyl)guanidine

  • Molecular FormulaC26H31Cl2N7O
  • Average mass528.477 Da
  • Monoisotopic mass527.196716 Da
  • ChemSpider ID7877446

More details:

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

2-[4-({3-Allyl-5-[(diethylamino)methyl]-4-hydroxyphenyl}amino)-6-methyl-2-pyrimidinyl]-1-(3,4-dichlorophenyl)guanidine [ACD/IUPAC Name]
2-[4-({3-Allyl-5-[(diéthylamino)méthyl]-4-hydroxyphényl}amino)-6-méthyl-2-pyrimidinyl]-1-(3,4-dichlorophényl)guanidine [French] [ACD/IUPAC Name]
2-[4-({3-Allyl-5-[(diethylamino)methyl]-4-hydroxyphenyl}amino)-6-methyl-2-pyrimidinyl]-1-(3,4-dichlorphenyl)guanidin [German] [ACD/IUPAC Name]
Guanidine, N-(3,4-dichlorophenyl)-N''-[4-[[3-[(diethylamino)methyl]-4-hydroxy-5-(2-propen-1-yl)phenyl]amino]-6-methyl-2-pyrimidinyl]- [ACD/Index Name]
1-[4-[5-Allyl-α-[diethylamino]-4-hydroxy-m-toluidino]-6-methyl-2-pyrimidinyl]-3-[3,4-dichlorophenyl]guanidine
N-(4-(3-Allyl-5-[(diethylamino)methyl]-4-hydroxyanilino)-6-methyl-2-pyrimidinyl)-N'-(3,4-dichlorophenyl)guanidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 352.8±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 145.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 3.97
ACD/KOC (pH 5.5): 12.60
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 34.55
ACD/KOC (pH 7.4): 109.67
Polar Surface Area: 112 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 408.6±7.0 cm3

Click to predict properties on the Chemicalize site


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