ChemSpider 2D Image | 3-(2-Amino-5-pyrimidinyl)benzoic acid | C11H9N3O2

3-(2-Amino-5-pyrimidinyl)benzoic acid

  • Molecular FormulaC11H9N3O2
  • Average mass215.208 Da
  • Monoisotopic mass215.069473 Da
  • ChemSpider ID21521285

More details:






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

3-(2-Amino-5-pyrimidinyl)benzoesäure [German] [ACD/IUPAC Name]
3-(2-Amino-5-pyrimidinyl)benzoic acid [ACD/IUPAC Name]
3-(2-Aminopyrimidin-5-yl)benzoic acid
Acide 3-(2-amino-5-pyrimidinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(2-amino-5-pyrimidinyl)- [ACD/Index Name]
[914349-45-4]
3-(2-Aminopyrimidin-5-Yl)benzoic acid (en)
3-(2-Aminopyrimidin-5-yl)benzoicacid
914349-45-4 [RN]
'914349-45-4
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-22172]
    • Safety:

      20/21/22 Novochemy [NC-22172]
      20/21/36/37/39 Novochemy [NC-22172]
      GHS07; GHS09 Novochemy [NC-22172]
      H332; H403 Novochemy [NC-22172]
      IRRITANT Matrix Scientific 071832
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-22172]
      R52/53 Novochemy [NC-22172]
      Warning Novochemy [NC-22172]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 552.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.1±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.74
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

Click to predict properties on the Chemicalize site






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