ChemSpider 2D Image | 4-((4-AMINOHEX-5-ENOYL)AMINO)HEX-5-ENOIC ACID | C12H20N2O3

4-((4-AMINOHEX-5-ENOYL)AMINO)HEX-5-ENOIC ACID

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID32697411

More details:

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

4-((4-AMINOHEX-5-ENOYL)AMINO)HEX-5-ENOIC ACID
4-[(4-Amino-5-hexenoyl)amino]-5-hexenoic acid [ACD/IUPAC Name]
4-[(4-Amino-5-hexenoyl)amino]-5-hexensäure [German] [ACD/IUPAC Name]
5-Hexenoic acid, 4-[(4-amino-1-oxo-5-hexen-1-yl)amino]- [ACD/Index Name]
794466-81-2 [RN]
Acide 4-[(4-amino-5-hexenoyl)amino]-5-hexénoïque [French] [ACD/IUPAC Name]
4-(4-Amino-hex-5-enoylamino)-hex-5-enoic Acid

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

02O9I4PZ2B [DBID]
UNII:02O9I4PZ2B [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 488.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±6.0 kJ/mol
    Flash Point: 249.1±28.7 °C
    Index of Refraction: 1.505
    Molar Refractivity: 65.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: -0.50
    ACD/LogD (pH 5.5): -2.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 221.8±3.0 cm3

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