ChemSpider 2D Image | Propyl 2-amino-4-(4-isopropylphenyl)-3-thiophenecarboxylate | C17H21NO2S

Propyl 2-amino-4-(4-isopropylphenyl)-3-thiophenecarboxylate

  • Molecular FormulaC17H21NO2S
  • Average mass303.419 Da
  • Monoisotopic mass303.129303 Da
  • ChemSpider ID21329910

More details:

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

2-Amino-4-(4-isopropylphényl)-3-thiophènecarboxylate de propyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-amino-4-[4-(1-methylethyl)phenyl]-, propyl ester [ACD/Index Name]
904998-93-2 [RN]
Propyl 2-amino-4-(4-isopropylphenyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Propyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate
propyl 2-amino-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate
Propyl-2-amino-4-(4-isopropylphenyl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]
propyl 2-amino-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
VS-14272

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

MFCD02090945 [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: 426.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 211.7±28.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 88.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.93
    ACD/LogD (pH 5.5): 4.80
    ACD/BCF (pH 5.5): 2604.56
    ACD/KOC (pH 5.5): 9695.68
    ACD/LogD (pH 7.4): 4.80
    ACD/BCF (pH 7.4): 2604.57
    ACD/KOC (pH 7.4): 9695.70
    Polar Surface Area: 81 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 44.1±3.0 dyne/cm
    Molar Volume: 267.5±3.0 cm3

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