ChemSpider 2D Image | 2-{[(2S)-3-(3,6-Dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]amino}-2-(hydroxymethyl)-1,3-propanediol | C19H22Cl2N2O4

2-{[(2S)-3-(3,6-Dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]amino}-2-(hydroxymethyl)-1,3-propanediol

  • Molecular FormulaC19H22Cl2N2O4
  • Average mass413.295 Da
  • Monoisotopic mass412.095673 Da
  • ChemSpider ID59007973

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Propanediol, 2-[[(2S)-3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]amino]-2-(hydroxymethyl)- [ACD/Index Name]
2-{[(2S)-3-(3,6-Dichlor-9H-carbazol-9-yl)-2-hydroxypropyl]amino}-2-(hydroxymethyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-{[(2S)-3-(3,6-Dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]amino}-2-(hydroxymethyl)-1,3-propanediol [ACD/IUPAC Name]
2-{[(2S)-3-(3,6-Dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]amino}-2-(hydroxyméthyl)-1,3-propanediol [French] [ACD/IUPAC 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: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 10.52
ACD/KOC (pH 5.5): 72.81
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 218.31
ACD/KOC (pH 7.4): 1510.75
Polar Surface Area: 98 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 281.4±7.0 cm3

Click to predict properties on the Chemicalize site


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