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Boronic acid,B-[2-(4-morpholinyl)-5-pyrimidinyl]- (870521-33-8)

Identification
Name:Boronic acid,B-[2-(4-morpholinyl)-5-pyrimidinyl]-
Synonyms:Boronicacid, [2-(4-morpholinyl)-5-pyrimidinyl]- (9CI);(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic acid;
CAS:870521-33-8
Molecular Formula: C8H12BN3O3
Molecular Weight: 209.01
InChI: InChI=1/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
Molecular Structure: (C8H12BN3O3) Boronicacid, [2-(4-morpholinyl)-5-pyrimidinyl]- (9CI);(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic acid...
Properties
Density:1.37
Refractive index:1.583
Specification:

The cas register number of 2-Morpholinopyrimidin-5-ylboronic acid is 870521-33-8. It also can be called as [2-(4-Morpholinyl)-5-pyrimidinyl]boronic acid and the Systematic name about this chemical is boronic acid, B-[2-(4-morpholinyl)-5-pyrimidinyl]-.

Physical properties about 2-Morpholinopyrimidin-5-ylboronic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 2.72; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 78.71Å2; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 50.98 cm3; (11)Molar Volume: 152.3 cm3; (12)Polarizability: 20.21x10-24cm3; (13)Surface Tension: 68.5 dyne/cm; (14)Enthalpy of Vaporization: 78.91 kJ/mol; (15)Vapour Pressure: 3.53E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cnc(nc1)N2CCOCC2)(O)O
(2)InChI: InChI=1/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
(3)InChIKey: KFYQOIHLZBDFBU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
(5)Std. InChIKey: KFYQOIHLZBDFBU-UHFFFAOYSA-N

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