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Boc-N-beta-Trityl-L-asparagine

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Name

Boc-N-beta-Trityl-L-asparagine

EINECS 2017-001-1
CAS No. 132388-68-2 Density 1.202 g/cm3
PSA 104.73000 LogP 5.24450
Solubility N/A Melting Point ~205 °C (dec.)
Formula C28H30N2O5 Boiling Point 711 °C at 760 mmHg
Molecular Weight 474.557 Flash Point 383.8 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 132388-68-2 (Boc-N-beta-Trityl-L-asparagine) Hazard Symbols N/A
Synonyms

Boc-Asn(Trt)-OH;

Article Data 1

Boc-N-beta-Trityl-L-asparagine 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

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