ChemSpider 2D Image | methyl (1-pentyl-1H-indazole-3-carbonyl)-L-valinate | C19H27N3O3

methyl (1-pentyl-1H-indazole-3-carbonyl)-L-valinate

  • Molecular FormulaC19H27N3O3
  • Average mass345.436 Da
  • Monoisotopic mass345.205231 Da
  • ChemSpider ID30646782
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1890250-13-1 [RN]
L-Valine, N-[(1-pentyl-1H-indazol-3-yl)carbonyl]-, methyl ester [ACD/Index Name]
methyl (1-pentyl-1H-indazole-3-carbonyl)-L-valinate
Methyl N-[(1-pentyl-1H-indazol-3-yl)carbonyl]-L-valinate [ACD/IUPAC Name]
Methyl-N-[(1-pentyl-1H-indazol-3-yl)carbonyl]-L-valinat [German] [ACD/IUPAC Name]
N-[(1-Pentyl-1H-indazol-3-yl)carbonyl]-L-valinate de méthyle [French] [ACD/IUPAC Name]
MMB-PINACA
AMB
METHYL (2S)-3-METHYL-2-[(1-PENTYL-1H-INDAZOL-3-YL)FORMAMIDO]BUTANOATE
METHYL (2S)-3-METHYL-2-[(1-PENTYLINDAZOL-3-YL)FORMAMIDO]BUTANOATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0ETP8M4H3E [DBID]
UNII:0ETP8M4H3E [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±24.6 °C
Index of Refraction: 1.565
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 582.14
ACD/KOC (pH 5.5): 3317.48
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 581.82
ACD/KOC (pH 7.4): 3315.65
Polar Surface Area: 73 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 299.2±7.0 cm3

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