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| CAS No.: | 1676-90-0 |
|---|---|
| Name: | Boc-L-aspartic acid 4-tert-butyl ester |
| Molecular Structure: | |
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| Formula: | C13H23NO6 |
| Molecular Weight: | 289.329 |
| Synonyms: | Aspartic acid, N-carboxy-,N,4-di-tert-butyl ester, L- (8CI);N-(tert-Butoxycarbonyl)-L-asparticacid b-tert-butyl ester;N-Boc-L-asparaginic acid g-(tert-butyl) ester;N-tert-Butoxycarbonylaspartic acid g-tert-butylester;tert-Butyloxycarbonyl-L-aspartic acid 4-tert-butyl ester; |
| Density: | 1.139 g/cm3 |
| Melting Point: | 64-67 °C |
| Boiling Point: | 432.6 °C at 760 mmHg |
| Flash Point: | 215.4 °C |
| Appearance: | White to off-white powder |
| Safety: | 24/25 |
| PSA: | 101.93000 |
| LogP: | 2.08700 |
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Specification
The systematic name of Boc-Asp(OtBu)-OH is (2S)-4-tert-butoxy-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid (non-preferred name) . With the CAS registry number 1676-90-0, it is also named as L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester ; Boc-L-aspartic acid 4-tert-butyl ester .
The product's categories are Aspartic acid [Asp, D], Boc-Amino Acids and Derivative and Boc-Amino acid series. Boc-Asp(OtBu)-OH is white to off-white powder which should be stored at the temperature of 2-8°C and sealed in the container. The price of this product changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.72 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.49 ; (4)ACD/LogD (pH 7.4): -0.88 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 4.19 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 7 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 8 ; (12)Index of Refraction: 1.47 ; (13)Molar Refractivity: 70.87 cm3 ; (14)Molar Volume: 254 cm3 ; (15)Polarizability: 28.09×10-24 cm3 ; (16)Surface Tension: 39.3 dyne/cm ; (17)Enthalpy of Vaporization: 75.49 kJ/mol ; (18)Vapour Pressure: 1.07E-08 mmHg at 25°C.
People can use the following data to convert to the molecule structure. SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CC(=O)OC(C)(C)C; InChI: InChI=1/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m0/s1. Boc-Asp(OtBu)-OH has many suppliers, such as Sichuan Goldentree Bio-pharmaceutical Co., Ltd..