ChemSpider 2D Image | (2S)-1-(4-Chloro-3-methoxyphenyl)-2-propanamine | C10H14ClNO

(2S)-1-(4-Chloro-3-methoxyphenyl)-2-propanamine

  • Molecular FormulaC10H14ClNO
  • Average mass199.677 Da
  • Monoisotopic mass199.076385 Da
  • ChemSpider ID65335775

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Chlor-3-methoxyphenyl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(4-Chloro-3-methoxyphenyl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(4-Chloro-3-méthoxyphényl)-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-chloro-3-methoxy-α-methyl-, (αS)- [ACD/Index Name]
(2S)-1-(4-chloro-3-methoxyphenyl)propan-2-amine
1335521-62-4 [RN]
MFCD20459229

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

Density: 1.1±0.1 g/cm3
Boiling Point: 287.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 127.7±23.2 °C
Index of Refraction: 1.533
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 35 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 178.8±3.0 cm3

Click to predict properties on the Chemicalize site


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