ChemSpider 2D Image | J57LGFISXI | C20H27N3O3

J57LGFISXI

  • Molecular FormulaC20H27N3O3
  • Average mass357.447 Da
  • Monoisotopic mass357.205231 Da
  • ChemSpider ID32741698

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1185887-51-7 [RN]
AB-CHMINACA metabolite M2
J57LGFISXI
L-Valine, N-[[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl]- [ACD/Index Name]
N-[[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl]-L-valine
N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-L-valine [ACD/IUPAC Name]
N-{[1-(Cyclohexylméthyl)-1H-indazol-3-yl]carbonyl}-L-valine [French] [ACD/IUPAC Name]
(2S)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid
(2S)-2-{[1-(CYCLOHEXYLMETHYL)-1H-INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANOIC ACID
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 609.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.2±3.0 kJ/mol
    Flash Point: 322.3±25.9 °C
    Index of Refraction: 1.630
    Molar Refractivity: 99.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 1.30
    ACD/BCF (pH 5.5): 1.77
    ACD/KOC (pH 5.5): 12.95
    ACD/LogD (pH 7.4): -0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 39.4±0.5 10-24cm3
    Surface Tension: 48.7±7.0 dyne/cm
    Molar Volume: 279.2±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement