The tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate, with the CAS registry number 87694-49-3, is also known as N-[(1S)-2-(Methoxymethylamino)-1-methyl-2-oxoethyl]-carbamic acid tert-butyl ester. It belongs to the product categories of Alanine; Amino Acid Derivatives; Peptide Synthesis. This chemical's molecular formula is C10H20N2O4 and molecular weight is 232.28. What's more, its systematic name is N-Methoxy-N-methyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninamide. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate are: (1)ACD/LogP: 0.807; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.42; (6)ACD/BCF (pH 7.4): 2.42; (7)ACD/KOC (pH 5.5): 65.44; (8)ACD/KOC (pH 7.4): 65.43; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 67.87 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 59.168 cm3; (15)Molar Volume: 217.062 cm3; (16)Polarizability: 23.456×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.07 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(OC)C)[C@@H](NC(=O)OC(C)(C)C)C
(2)Std. InChI: InChI=1S/C10H20N2O4/c1-7(8(13)12(5)15-6)11-9(14)16-10(2,3)4/h7H,1-6H3,(H,11,14)/t7-/m0/s1
(3)Std. InChIKey: PWQIGBOSLQHOBT-ZETCQYMHSA-N
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