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| CAS No.: | 74244-17-0 |
|---|---|
| Name: | BOC-ASP-NH2 |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H16N2O5 |
| Molecular Weight: | 232.23 |
| Synonyms: | Butanoicacid, 4-amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, (S)-; |
| Density: | 1.253 g/cm3 |
| Melting Point: | 150-154 °C |
| Boiling Point: | 462.7 °C at 760 mmHg |
| Flash Point: | 233.7 °C |
| PSA: | 118.72000 |
| LogP: | 0.93090 |
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- Total:19 Page 1 of 1 1
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Specification
The Boc-Asp-NH2 is an organic compound with the formula C9H16N2O5. The systematic name of this product is N~2~-(tert-butoxycarbonyl)-L-alpha-asparagine. Withe the CAS registry number 74244-17-0, it is also named as Boc-L-aspartic acid 1-amide; Boc-L-isoasparagine; N-alpha-t-Boc-isoasparagine. This chemical must be stored in the sealed container and placed in a cool and dry aera. The price of this product changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 54.16 cm3; (14)Molar Volume: 185.2 cm3; (15)Polarizability: 21.47×10-24 cm3; (16)Surface Tension: 49.4 dyne/cm; (17)Enthalpy of Vaporization: 79.32 kJ/mol; (18)Vapour Pressure: 7.59E-10 mmHg at 25°C; (19)WGK Germany: 3.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)N)CC(=O)O;
2. InChI: InChI=1/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(10)14)4-6(12)13/h5H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)/t5-/m0/s1; 3. InChIKey: VKCARTLEXJLJBZ-YFKPBYRVBL.