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| CAS No.: | 132388-68-2 |
|---|---|
| Name: | Boc-N-beta-Trityl-L-asparagine |
| Article Data: | 1 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C28H30N2O5 |
| Molecular Weight: | 474.557 |
| Synonyms: | Boc-Asn(Trt)-OH; |
| EINECS: | 2017-001-1 |
| Density: | 1.202 g/cm3 |
| Melting Point: | ~205 °C (dec.) |
| Boiling Point: | 711 °C at 760 mmHg |
| Flash Point: | 383.8 °C |
| Safety: | 22-24/25 |
| PSA: | 104.73000 |
| LogP: | 5.24450 |
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Specification
The Boc-N-beta-Trityl-L-asparagine, with the CAS registry number 132388-68-2, is also known as Boc-Asn(Trt)-OH. It belongs to the product categories of Asparagine [Asn, N]; Boc-Amino Acids and Derivative; Boc-Amino Acid Series. This chemical's molecular formula is C28H30N2O5 and molecular weight is 474.55. Its systematic name is called N~2~-(tert-butoxycarbonyl)-N-trityl-D-asparagine. When you are using this chemical, please be cautious about it. You should not breathe its dust. Besides, you must avoid contacting it with skin and eyes.
Physical properties of Boc-N-beta-Trityl-L-asparagine: (1)ACD/LogP: 5.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 2.29; (5)#H bond acceptors: 7; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 10; (8)Index of Refraction: 1.582; (9)Molar Refractivity: 131.71 cm3; (10)Molar Volume: 394.6 cm3; (11)Surface Tension: 48.6 dyne/cm; (12)Density: 1.202 g/cm3; (13)Flash Point: 383.8 °C; (14)Enthalpy of Vaporization: 109.16 kJ/mol; (15)Boiling Point: 711 °C at 760 mmHg; (16)Vapour Pressure: 3.22E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC(CC(=O)NC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O
(2)InChI: InChI=1/C28H30N2O5/c1-27(2,3)35-26(34)29-23(25(32)33)19-24(31)30-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t23-/m1/s1
(3)InChIKey: PYGOCFDOBSXROC-HSZRJFAPBS