Product Name

  • Name

    2-Morpholinopyridine-3-boronic acid, pinacol ester

  • EINECS
  • CAS No. 1150561-72-0
  • Density 1.167 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H25BN2O4
  • Boiling Point 472.922 °C at 760 mmHg
  • Molecular Weight 308.181
  • Flash Point 239.815 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 1150561-72-0 (2-Morpholinopyridine-3-boronic acid, pinacol ester)
  • Hazard Symbols Xn
  • Synonyms 2-Morpholinopyridine-3-boronic acid, pinacol ester;4-(3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)Morpholine
  • PSA 43.82000
  • LogP 1.28240

2-Morpholinopyridine-3-boronic acid pinacol ester Specification

The 2-Morpholinopyridine-3-boronic acid pinacol ester has CAS registry number of 1150561-72-0. Its molecular formula is C15H25BN2O4 and molecular weight is 308.181. What's more, its systematic name is (2-Hydroxy-1,1,2-trimethyl-propoxy)-(2-morpholino-3-pyridyl)borinic acid.

Physical properties about the 2-Morpholinopyridine-3-boronic acid pinacol ester are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.668; (4)ACD/LogD (pH 7.4): 0.582; (5)ACD/BCF (pH 5.5): 9.818; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 157.734; (8)ACD/KOC (pH 7.4): 12.94; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.05 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 82.726 cm3; (15)Molar Volume: 264.181 cm3; (16)Surface Tension: 48.252 dyne/cm; (17)Density: 1.167 g/cm3; (18)Flash Point: 239.815 °C; (19)Enthalpy of Vaporization: 77.531 kJ/mol; (20)Boiling Point: 472.922 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccnc1N2CCOCC2)(O)OC(C)(C)C(C)(C)O
(2) InChI: InChI=1/C15H25BN2O4/c1-14(2,19)15(3,4)22-16(20)12-6-5-7-17-13(12)18-8-10-21-11-9-18/h5-7,19-20H,8-11H2,1-4H3
(3) InChIKey: NILSSCYTDCRJIL-UHFFFAOYAK

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