ChemSpider 2D Image | (2S)-3-Methyl-2-(1H-tetrazol-1-yl)butanoic acid | C6H10N4O2

(2S)-3-Methyl-2-(1H-tetrazol-1-yl)butanoic acid

  • Molecular FormulaC6H10N4O2
  • Average mass170.169 Da
  • Monoisotopic mass170.080383 Da
  • ChemSpider ID21790665

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Methyl-2-(1H-tetrazol-1-yl)butanoic acid [ACD/IUPAC Name]
(2S)-3-Methyl-2-(1H-tetrazol-1-yl)butansäure [German] [ACD/IUPAC Name]
1H-Tetrazole-1-acetic acid, α-(1-methylethyl)-, (αS)- [ACD/Index Name]
Acide (2S)-3-méthyl-2-(1H-tétrazol-1-yl)butanoïque [French] [ACD/IUPAC Name]
(2S)-3-methyl-2-(1H-1,2,3,4-tetraazol-1-yl)butanoic acid
(2S)-3-methyl-2-(1H-1,2,3,4-tetrazol-1-yl)butanoic acid
(2S)-3-methyl-2-(1H-tetraazol-1-yl)butanoic acid
(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid
(S)-3-methyl-2-(1H-tetrazol-1-yl)butanoic acid
1218381-05-5 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 346.7±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 163.5±28.4 °C
    Index of Refraction: 1.630
    Molar Refractivity: 42.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.27
    ACD/LogD (pH 5.5): -2.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 54.1±7.0 dyne/cm
    Molar Volume: 118.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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