L-Aspartic acid,4-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1) (2673-19-0)

The L-Aspartic acid,4-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1) is an organic compound with the formula C9H18ClNO4. The systematic name of this product is methyl tert-butyl (2R)-2-aminobutanedioate hydrochloride. With the CAS registry number 2673-19-0, it is also named as 4-tert-Butyl 1-methyl D-aspartate hydrochloride (1:1); D-aspartic acid, 4-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1). The product's categories are amino acid derivatives, amino acids, aspartic acid and peptide synthesis. It must be stored at the temperature of 2-8 °C and sealed in the container.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.08 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.53 ; (4)ACD/LogD (pH 7.4): 1.07 ; (5)#H bond acceptors: 5 ; (6)#H bond donors: 2 ; (7)#Freely Rotating Bonds: 7 ; (8)Enthalpy of Vaporization: 55.2 kJ/mol ; (9)Boiling Point: 301.1 °C at 760 mmHg ; (10)Vapour Pressure: 0.000807 mmHg at 25°C ; (11)WGK Germany: 3. 

People can use the following data to convert to the molecule structure. SMILES: CC(C)(C)OC(=O)C[C@@H](N)C(=O)OC.Cl; InChI: InChI=1/C9H17NO4.ClH/c1-9(2,3)14-7(11)5-6(10)8(12)13-4;/h6H,5,10H2,1-4H3;1H/t6-;/m1./s1; InChIKey: SFYKWYAIJZEDNG-FYZOBXCZBQ. The price of this product changes with the market.