ChemSpider 2D Image | 4-[(1R)-1-Amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-2-nitrophenol | C16H25BN2O5

4-[(1R)-1-Amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-2-nitrophenol

  • Molecular FormulaC16H25BN2O5
  • Average mass336.191 Da
  • Monoisotopic mass336.185638 Da
  • ChemSpider ID96456633
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[(1R)-1-Amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-2-nitrophenol [German] [ACD/IUPAC Name]
4-[(1R)-1-Amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-2-nitrophenol [ACD/IUPAC Name]
4-[(1R)-1-Amino-4-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)butyl]-2-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1R)-1-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-2-nitro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 215.4±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 111 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 283.0±5.0 cm3

Click to predict properties on the Chemicalize site






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