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Search term: KQTCNDCMXMIDEQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-1-(4-Iodo-2,5-dimethoxyphenyl)-2-butanamine | C12H18INO2

(2R)-1-(4-Iodo-2,5-dimethoxyphenyl)-2-butanamine

  • Molecular FormulaC12H18INO2
  • Average mass335.181 Da
  • Monoisotopic mass335.038208 Da
  • ChemSpider ID31104993

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(4-Iod-2,5-dimethoxyphenyl)-2-butanamin [German] [ACD/IUPAC Name]
(2R)-1-(4-Iodo-2,5-dimethoxyphenyl)-2-butanamine [ACD/IUPAC Name]
(2R)-1-(4-Iodo-2,5-diméthoxyphényl)-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-4-iodo-2,5-dimethoxy-, (αR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 375.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.8±27.9 °C
Index of Refraction: 1.566
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
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): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.54
Polar Surface Area: 44 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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