ChemSpider 2D Image | MDMB-3en-BUTINACA | C19H25N3O3

MDMB-3en-BUTINACA

  • Molecular FormulaC19H25N3O3
  • Average mass343.420 Da
  • Monoisotopic mass343.189606 Da
  • ChemSpider ID76714618

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[[1-(3-buten-1-yl)-1H-indazol-3-yl]carbonyl]-3-methyl-, methyl ester [ACD/Index Name]
MDMB-3en-BUTINACA
Methyl N-{[1-(3-buten-1-yl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(3-buten-1-yl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(3-Butén-1-yl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
methyl (S)-2-(1-(but-3-en-1-yl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 525.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.4±27.3 °C
Index of Refraction: 1.557
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.15
ACD/KOC (pH 5.5): 1178.75
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.09
ACD/KOC (pH 7.4): 1178.22
Polar Surface Area: 73 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 303.7±7.0 cm3

Click to predict properties on the Chemicalize site


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