ChemSpider 2D Image | (2S)-1-(1-Benzothiophen-3-yl)-2-propanamine | C11H13NS

(2S)-1-(1-Benzothiophen-3-yl)-2-propanamine

  • Molecular FormulaC11H13NS
  • Average mass191.293 Da
  • Monoisotopic mass191.076874 Da
  • ChemSpider ID65727743

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(1-Benzothiophen-3-yl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(1-Benzothiophen-3-yl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(1-Benzothiophén-3-yl)-2-propanamine [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-ethanamine, α-methyl-, (αS)- [ACD/Index Name]
(2S)-1-(1-benzothiophen-3-yl)propan-2-amine
788815-11-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 147.9±20.9 °C
Index of Refraction: 1.643
Molar Refractivity: 60.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.19
Polar Surface Area: 54 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 166.4±3.0 cm3

Click to predict properties on the Chemicalize site


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