ChemSpider 2D Image | 3-Amino-2-(2-thienylmethyl)-1-propanol | C8H13NOS

3-Amino-2-(2-thienylmethyl)-1-propanol

  • Molecular FormulaC8H13NOS
  • Average mass171.260 Da
  • Monoisotopic mass171.071777 Da
  • ChemSpider ID21786202

More details:

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

2-Thiophenepropanol, β-(aminomethyl)- [ACD/Index Name]
3-Amino-2-(2-thienylmethyl)-1-propanol [ACD/IUPAC Name]
3-Amino-2-(2-thienylmethyl)-1-propanol [German] [ACD/IUPAC Name]
3-Amino-2-(2-thiénylméthyl)-1-propanol [French] [ACD/IUPAC Name]
1017371-11-7 [RN]
2-(aminomethyl)-3-thiophen-2-ylpropan-1-ol
3-amino-2-(thien-2-ylmethyl)propan-1-ol
3-Amino-2-(thiophen-2-ylmethyl)propan-1-ol
3-AMINO-2-[(THIOPHEN-2-YL)METHYL]PROPAN-1-OL
MFCD09894872 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 324.2±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 149.8±25.1 °C
    Index of Refraction: 1.577
    Molar Refractivity: 48.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.48
    ACD/LogD (pH 5.5): -2.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 74 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 50.4±3.0 dyne/cm
    Molar Volume: 146.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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