ChemSpider 2D Image | 2-[(1R)-1-Amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-6-methyl-3-nitrophenol | C16H25BN2O5

2-[(1R)-1-Amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-6-methyl-3-nitrophenol

  • Molecular FormulaC16H25BN2O5
  • Average mass336.191 Da
  • Monoisotopic mass336.185638 Da
  • ChemSpider ID97084721

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-1-Amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-6-methyl-3-nitrophenol [German] [ACD/IUPAC Name]
2-[(1R)-1-Amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-6-methyl-3-nitrophenol [ACD/IUPAC Name]
2-[(1R)-1-Amino-3-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)propyl]-6-méthyl-3-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 2-[(1R)-1-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-6-methyl-3-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: 473.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 240.3±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#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: 47.2±5.0 dyne/cm
Molar Volume: 282.5±5.0 cm3

Click to predict properties on the Chemicalize site


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