ChemSpider 2D Image | AD-1211 | C23H30N2O

AD-1211

  • Molecular FormulaC23H30N2O
  • Average mass350.497 Da
  • Monoisotopic mass350.235809 Da
  • ChemSpider ID26286944
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-{(2R)-2-[4-(3-Methyl-2-buten-1-yl)-1-piperazinyl]-2-phenylethyl}phenol [ACD/IUPAC Name]
3-{(2R)-2-[4-(3-Methyl-2-buten-1-yl)-1-piperazinyl]-2-phenylethyl}phenol [German] [ACD/IUPAC Name]
3-{(2R)-2-[4-(3-Méthyl-2-butén-1-yl)-1-pipérazinyl]-2-phényléthyl}phénol [French] [ACD/IUPAC Name]
AD-1211 [Wiki]
Phenol, 3-[(2R)-2-[4-(3-methyl-2-buten-1-yl)-1-piperazinyl]-2-phenylethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 470.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 213.4±26.0 °C
Index of Refraction: 1.587
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 13.26
ACD/KOC (pH 5.5): 75.28
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 375.59
ACD/KOC (pH 7.4): 2133.01
Polar Surface Area: 27 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 323.8±3.0 cm3

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