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CAS No.: | 116451-49-1 |
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Name: | 1-(2,2-Diethoxyethyl)-3-methoxyurea |
Molecular Structure: | |
Formula: | C8H18N2O4 |
Molecular Weight: | 206.242 |
Synonyms: | N-(2,2-Diethoxyethyl)-N'-methoxy-Urea; |
Density: | 1.058 g/cm3 |
Melting Point: | 56-58 °C(Solv: hexane (110-54-3)) |
PSA: | 68.82000 |
LogP: | 1.02790 |
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The Urea,N-(2,2-diethoxyethyl)-N'-methoxy-, with the CAS registry number of 116451-49-1, is also known as N-(2,2-Diethoxyethyl)-N'-methoxy-Urea. Its molecular formula is C8H18N2O4 and molecular weight is 206.24. What's more, its systematic name is 1-(2,2-Diethoxyethyl)-3-methoxy-urea.
Physical properties about the Urea,N-(2,2-diethoxyethyl)-N'-methoxy- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 68.82 Å2; (9)Index of Refraction: 1.441; (10)Molar Refractivity: 51.52 cm3; (11)Molar Volume: 194.8 cm3; (14)Surface Tension: 33.2 dyne/cm; (15)Density: 1.058 g/cm3.
Preparation: this chemical can be obtained by O-Methyl-hydroxylamine; hydrochloride and 2,2-Diethoxyethyl isocyanate. The reaction needs reagent (C2H5)3N and solvent CHCl3. The reaction time is 45 min with reaction temperature of 20 °C. The yield is about 77 %.
Uses: it is used to produce other chemicals. For example, it is used to produce 1-Methoxy-2,3-dihydroimidazole-2-one. This reaction needs reagent HCl. Meanwhile, it needs solvent Ethanol. The reaction time is 5 h with reaction temperature of 20 °C. The yield is about 82 %.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(CNC(=O)NOC)OCC
(2) InChI: InChI=1/C8H18N2O4/c1-4-13-7(14-5-2)6-9-8(11)10-12-3/h7H,4-6H2,1-3H3,(H2,9,10,11)
(3) InChIKey: BHXLZXJRTXHILL-UHFFFAOYAO