ChemSpider 2D Image | (2S)-1-(4-Chloro-2,5-dimethoxyphenyl)-2-propanamine | C11H16ClNO2

(2S)-1-(4-Chloro-2,5-dimethoxyphenyl)-2-propanamine

  • Molecular FormulaC11H16ClNO2
  • Average mass229.703 Da
  • Monoisotopic mass229.086960 Da
  • ChemSpider ID32801275
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-(4-Chlor-2,5-dimethoxyphenyl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(4-Chloro-2,5-dimethoxyphenyl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(4-Chloro-2,5-diméthoxyphényl)-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-chloro-2,5-dimethoxy-α-methyl-, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 324.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.2±26.5 °C
Index of Refraction: 1.525
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.94
Polar Surface Area: 44 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 202.8±3.0 cm3

Click to predict properties on the Chemicalize site






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