ChemSpider 2D Image | methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate | C13H13N3O3

methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate

  • Molecular FormulaC13H13N3O3
  • Average mass259.261 Da
  • Monoisotopic mass259.095703 Da
  • ChemSpider ID28294113

More details:






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

2-Amino-4-(3-méthoxyphényl)-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl-2-amino-4-(3-methoxyphenyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
[1187385-80-3]
1187385-80-3 [RN]
'1187385-80-3
5-Pyrimidinecarboxylic acid, 2-amino-4-(3-methoxyphenyl)-, methyl ester [ACD/Index Name]
HC-2327
Methyl 2-amino-4-(3-methoxyphenyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
methyl-2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-24869]
    • Safety:

      20/21/22 Novochemy [NC-24869]
      20/21/36/37/39 Novochemy [NC-24869]
      GHS07; GHS09 Novochemy [NC-24869]
      H332; H403 Novochemy [NC-24869]
      P332+P313; P305+P351+P338 Novochemy [NC-24869]
      Warning Novochemy [NC-24869]
      Xn Novochemy [NC-24869]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 497.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.8±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 69.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.75
ACD/KOC (pH 5.5): 250.41
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.76
ACD/KOC (pH 7.4): 250.47
Polar Surface Area: 87 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 205.3±3.0 cm3

Click to predict properties on the Chemicalize site






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