CAS No.87694-49-3,BOC-ALA-N(OCH3)CH3 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	87694-49-3
Name:	BOC-ALA-N(OCH3)CH3
Article Data:	91

Formula:	C₁₀H₂₀N₂O₄
Molecular Weight:	232.28
Synonyms:	Carbamicacid, [(1S)-2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, 1,1-dimethylethylester (9CI);Carbamic acid, [2-(methoxymethylamino)-1-methyl-2-oxoethyl]-,1,1-dimethylethyl ester, (S)-;(S)-2-((tert-Butoxycarbonyl)amino)-N-methoxy-N-methylpropanamide;(S)-2-(tert-Butoxycarbonylamino)-N-methoxy-N-methylpropionamide;(S)-[1-(N-Methoxy-N-methylcarbamoyl)ethyl]carbamicacid tert-butyl ester;tert-Butyl(1S)-2-[methoxy(methyl)amino]-1-methyl-2-oxoethylcarbamate;tert-Butyl N-[(1S)-2-[methoxy(methyl)amino]-1-methyl-2-oxoethyl]carbamate;tert-Butyl N-[(S)-1-(N-methoxy-N-methylcarbamoyl)ethyl]carbamate;N-[(1S)-2-(Methoxymethylamino)-1-methyl-2-oxoethyl]-carbamic acid tert-butyl ester;
Density:	1.07 g/cm³
Melting Point:	148-153 °C(lit.)
PSA:	67.87000
LogP:	1.31030

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Specification

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