ChemSpider 2D Image | Z6EXBVG316 | C22H31N3O3

Z6EXBVG316

  • Molecular FormulaC22H31N3O3
  • Average mass385.500 Da
  • Monoisotopic mass385.236542 Da
  • ChemSpider ID32055574
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1185888-32-7 [RN]
L-Valine, N-[[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl]-3-methyl-, methyl ester [ACD/Index Name]
Methyl N-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(Cyclohexylméthyl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
Z6EXBVG316
MDMB-CHMINACA [Wiki]
N-[[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl]-3-methyl-L-valine, methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.6±24.6 °C
Index of Refraction: 1.589
Molar Refractivity: 109.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3065.65
ACD/KOC (pH 5.5): 10895.50
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3064.30
ACD/KOC (pH 7.4): 10890.70
Polar Surface Area: 73 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 324.2±7.0 cm3

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