ChemSpider 2D Image | 2-[(5-Amino-3-methyl-1H-1,2,4-triazol-1-yl)methyl]succinic acid | C8H12N4O4

2-[(5-Amino-3-methyl-1H-1,2,4-triazol-1-yl)methyl]succinic acid

  • Molecular FormulaC8H12N4O4
  • Average mass228.205 Da
  • Monoisotopic mass228.085861 Da
  • ChemSpider ID26456152

More details:

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

2-[(5-Amino-3-methyl-1H-1,2,4-triazol-1-yl)methyl]bernsteinsäure [German] [ACD/IUPAC Name]
2-[(5-Amino-3-methyl-1H-1,2,4-triazol-1-yl)methyl]succinic acid [ACD/IUPAC Name]
Acide 2-[(5-amino-3-méthyl-1H-1,2,4-triazol-1-yl)méthyl]succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(5-amino-3-methyl-1H-1,2,4-triazol-1-yl)methyl]- [ACD/Index Name]
(2R)-2-[(5-amino-3-methyl-1,2,4-triazol-1-yl)methyl]butanedioic acid
1211484-42-2 [RN]
2-((5-amino-3-methyl-1H-1,2,4-triazol-1-yl)methyl)succinic acid
2-[(5-amino-3-methyl-1,2,4-triazol-1-yl)methyl]butanedioic acid
2-[(5-amino-3-methyl-1H-1,2,4-triazol-1-yl)methyl]butanedioic acid
AGN-PC-09E68S
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 518.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 267.2±32.9 °C
    Index of Refraction: 1.677
    Molar Refractivity: 52.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.02
    ACD/LogD (pH 5.5): -2.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 131 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 73.3±7.0 dyne/cm
    Molar Volume: 138.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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