ChemSpider 2D Image | (2R)-2-[(3-Iodo-4,5-dimethoxybenzyl)amino]-1-propanol | C12H18INO3

(2R)-2-[(3-Iodo-4,5-dimethoxybenzyl)amino]-1-propanol

  • Molecular FormulaC12H18INO3
  • Average mass351.181 Da
  • Monoisotopic mass351.033142 Da
  • ChemSpider ID57783564

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(3-Iod-4,5-dimethoxybenzyl)amino]-1-propanol [German] [ACD/IUPAC Name]
(2R)-2-[(3-Iodo-4,5-dimethoxybenzyl)amino]-1-propanol [ACD/IUPAC Name]
(2R)-2-[(3-Iodo-4,5-diméthoxybenzyl)amino]-1-propanol [French] [ACD/IUPAC Name]
1-Propanol, 2-[[(3-iodo-4,5-dimethoxyphenyl)methyl]amino]-, (2R)- [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: 438.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 219.2±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.44
ACD/KOC (pH 7.4): 60.36
Polar Surface Area: 51 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 232.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement