ChemSpider 2D Image | ML-211 | C25H30N4O2

ML-211

  • Molecular FormulaC25H30N4O2
  • Average mass418.531 Da
  • Monoisotopic mass418.236877 Da
  • ChemSpider ID26642225

More details:

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

[2-(4-tert-butylpiperidine-1-carbonyl)-1,2,3-triazol-4-yl]diphenylmethanol
[2-(4-tert-butylpiperidine-1-carbonyl)-2H-1,2,3-triazol-4-yl]diphenylmethanol
{4-[Hydroxy(diphenyl)methyl]-2H-1,2,3-triazol-2-yl}[4-(2-methyl-2-propanyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
{4-[Hydroxy(diphenyl)methyl]-2H-1,2,3-triazol-2-yl}[4-(2-methyl-2-propanyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
{4-[Hydroxy(diphényl)méthyl]-2H-1,2,3-triazol-2-yl}[4-(2-méthyl-2-propanyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
2205032-89-7 [RN]
Methanone, [4-(1,1-dimethylethyl)-1-piperidinyl][4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl]- [ACD/Index Name]
ML-211
(4-(tert-butyl)piperidin-1-yl)(4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl)methanone
(4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 583.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 306.9±27.9 °C
Index of Refraction: 1.616
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 320.04
ACD/KOC (pH 5.5): 2161.85
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 319.98
ACD/KOC (pH 7.4): 2161.49
Polar Surface Area: 71 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 354.4±7.0 cm3

Click to predict properties on the Chemicalize site


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