ChemSpider 2D Image | CHEMBRDG-BB 4002914 | C11H17NS

CHEMBRDG-BB 4002914

  • Molecular FormulaC11H17NS
  • Average mass195.324 Da
  • Monoisotopic mass195.108170 Da
  • ChemSpider ID21612651

More details:






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

915921-11-8 [RN]
Benzenemethanamine, N-(1-methylethyl)-3-(methylthio)- [ACD/Index Name]
CHEMBRDG-BB 4002914
N-(1-Methylethyl)-3-(methylthio)benzenemethanamine
N-[3-(Methylsulfanyl)benzyl]-2-propanamin [German] [ACD/IUPAC Name]
N-[3-(Methylsulfanyl)benzyl]-2-propanamine [ACD/IUPAC Name]
N-[3-(Méthylsulfanyl)benzyl]-2-propanamine [French] [ACD/IUPAC Name]
{[3-(METHYLSULFANYL)PHENYL]METHYL}(PROPAN-2-YL)AMINE
ISOPROPYL({[3-(METHYLSULFANYL)PHENYL]METHYL})AMINE
MFCD08059736 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 280.5±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.9±3.0 kJ/mol
    Flash Point: 123.4±22.6 °C
    Index of Refraction: 1.546
    Molar Refractivity: 61.5±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.12
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 1.39
    ACD/KOC (pH 7.4): 11.77
    Polar Surface Area: 37 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 37.5±5.0 dyne/cm
    Molar Volume: 194.3±5.0 cm3

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