ChemSpider 2D Image | MFCD18323587 | C16H18N2O2

MFCD18323587

  • Molecular FormulaC16H18N2O2
  • Average mass270.326 Da
  • Monoisotopic mass270.136841 Da
  • ChemSpider ID27701690

More details:






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

2-Pyridinecarboxylic acid, 6-amino-3-[4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]
6-Amino-3-(4-tert-butylphenyl)picolinic acid
6-Amino-3-[4-(2-methyl-2-propanyl)phenyl]-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
6-Amino-3-[4-(2-methyl-2-propanyl)phenyl]-2-pyridinecarboxylic acid [ACD/IUPAC Name]
Acide 6-amino-3-[4-(2-méthyl-2-propanyl)phényl]-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
MFCD18323587
[1261913-25-0]
1261913-25-0 [RN]
'1261913-25-0
6-Amino-3-(4-(tert-butyl)phenyl)picolinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      Not Available Novochemy [NC-27889]
    • Safety:

      20/21/22 Novochemy [NC-27889]
      20/21/36/37/39 Novochemy [NC-27889]
      GHS07; GHS09 Novochemy [NC-27889]
      H332; H403 Novochemy [NC-27889]
      P301+P310; P337+P313 Novochemy [NC-27889]
      R52/53 Novochemy [NC-27889]
      Warning Novochemy [NC-27889]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 421.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 208.7±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 6.65
ACD/KOC (pH 5.5): 41.81
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 76 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site






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