| Identification | |
| Name: | L-Aspartic acid,1-(1,1-dimethylethyl) ester |
| Synonyms: | Asparticacid, 1-tert-butyl ester (7CI,8CI);H-Asp-OtBu; |
| CAS: | 4125-93-3 |
| Molecular Formula: | C8H15NO4 |
| Molecular Weight: | 189.21 |
| InChI: | InChI=1/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.126 g/cm3 |
| Refractive index: | 1.475 |
| Appearance: | White powder |
| Specification: |
The H-Asp-OtBu is an organic compund with the formula C8H15NO4. The systematic name of this chemical is (3S)-3-ammonio-4-tert-butoxy-4-oxobutanoate. With the CAS registry number 4125-93-3, it is also named as L-Aspartic acid, 1-(1,1-dimethylethyl) ester. The product's categories are Amino Acids Derivatives; Aspartic acid [Asp, D]; Amino Acids and Derivatives. It is used as peptide synthesis. Additionally, this chemical should be stored at the temperature of 0°C. The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -2.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 63.6 ?2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 45.91 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 18.2×10-24 cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 133.9 °C; (20)Enthalpy of Vaporization: 59.14 kJ/mol; (21)Boiling Point: 297.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000316 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
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