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Cas Database |
| Name |
2-Morpholinopyrimidin-5-ylboronic acid |
EINECS | N/A |
| CAS No. | 870521-33-8 | Density | 1.37 g/cm3 |
| PSA | 78.71000 | LogP | -1.94200 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H12BN3O3 | Boiling Point | 484 °C at 760 mmHg |
| Molecular Weight | 209.013 | Flash Point | 246.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Boronicacid, [2-(4-morpholinyl)-5-pyrimidinyl]- (9CI);(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic acid; |
Article Data | 12 |
2-Morpholinopyrimidin-5-ylboronic acid 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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