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| CAS No.: | 52127-83-0 |
|---|---|
| Name: | 4-(2,6-Dichloropyrimidin-4-yl)morpholine |
| Molecular Structure: | |
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| Formula: | C8H9Cl2N3O |
| Molecular Weight: | 234.085 |
| Synonyms: | 4-(2,6-Dichloro-pyrimidin-4-yl)-morpholine;Morpholine, 4-(2,6-dichloro-4-pyrimidinyl)-; |
| Density: | 1.435 g/cm3 |
| Boiling Point: | 396.137 °C at 760 mmHg |
| Flash Point: | 193.377 °C |
| PSA: | 38.25000 |
| LogP: | 1.68500 |
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Specification
The 4-(2,6-Dichloropyrimidin-4-yl)morpholine, with the CAS registry number 52127-83-0, is also known as Morpholine, 4-(2,6-dichloro-4-pyrimidinyl)-. This chemical's molecular formula is C8H9Cl2N3O and molecular weight is 234.0826. What's more, its systematic name is called 4-(2,6-Dichloropyrimidin-4-yl)morpholine.
Physical properties about 4-(2,6-Dichloropyrimidin-4-yl)morpholine are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.25 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 54.035 cm3; (9)Molar Volume: 163.093 cm3; (10)Surface Tension: 56.139 dyne/cm; (11)Density: 1.435 g/cm3; (12)Flash Point: 193.377 °C; (13)Enthalpy of Vaporization: 64.64 kJ/mol; (14)Boiling Point: 396.137 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(Cl)nc(N1CCOCC1)c2
(2) InChI: InChI=1/C8H9Cl2N3O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2
(3) InChIKey: QGGYMWHOBGSQCF-UHFFFAOYAS