ChemSpider 2D Image | N-(3,4-Dimethoxybenzyl)-2-{[(2S)-1-hydroxy-2-propanyl]amino}-5-nitrobenzamide | C19H23N3O6

N-(3,4-Dimethoxybenzyl)-2-{[(2S)-1-hydroxy-2-propanyl]amino}-5-nitrobenzamide

  • Molecular FormulaC19H23N3O6
  • Average mass389.402 Da
  • Monoisotopic mass389.158691 Da
  • ChemSpider ID23976304

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(3,4-dimethoxyphenyl)methyl]-2-[[(1S)-2-hydroxy-1-methylethyl]amino]-5-nitro- [ACD/Index Name]
N-(3,4-Dimethoxybenzyl)-2-{[(2S)-1-hydroxy-2-propanyl]amino}-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-(3,4-Dimethoxybenzyl)-2-{[(2S)-1-hydroxy-2-propanyl]amino}-5-nitrobenzamide [ACD/IUPAC Name]
N-(3,4-Diméthoxybenzyl)-2-{[(2S)-1-hydroxy-2-propanyl]amino}-5-nitrobenzamide [French] [ACD/IUPAC Name]
(S)-N-(3,4-Dimethoxybenzyl)-2-((1-hydroxypropan-2-yl)amino)-5-nitrobenzamide
(S)-Xanthoanthrafil
1020251-53-9 [RN]
247567-47-1 [RN]
N-(3,4-dimethoxybenzyl)-2-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-5-nitro-benzamide
N-[(3,4-dimethoxyphenyl)methyl]-2-[[(1R)-2-hydroxy-1-methylethyl]amino]-5-nitrobenzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 612.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 104.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.84
ACD/KOC (pH 5.5): 689.47
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.84
ACD/KOC (pH 7.4): 689.47
Polar Surface Area: 126 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

Click to predict properties on the Chemicalize site


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