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| CAS No.: | 1738-82-5 |
|---|---|
| Name: | Gly-Gly benzyl ester p-toluenesulfonate salt |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C18H22N2O6S |
| Molecular Weight: | 394.448 |
| Synonyms: | benzyl 2-[(2-aminoacetyl)amino]acetate; 4-methylbenzenesulfonic acid; |
| Melting Point: | 157-159oC |
| Boiling Point: | 408 °C at 760 mmHg |
| Flash Point: | 200.5 °C |
| Appearance: | White powder |
| PSA: | 144.17000 |
| LogP: | 3.21840 |
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Specification
The Gly-Gly benzyl ester p-toluenesulfonate salt is an organic compound with the formula C18H22N2O6S. The IUPAC name of this chemical is Benzyl 2-[(2-aminoacetyl)amino]acetate; 4-methylbenzenesulfonic acid. With the CAS registry number 1738-82-5, it is also named as Glycylglycine benzyl ester p-toluenesulfonate. The product's categories are Dipeptides; Dipeptides and Tripeptides; Peptides. Besides, it should be stored at 2-8 °C.
Physical properties about Gly-Gly benzyl ester p-toluenesulfonate salt are: (1)ACD/LogP: 0.08; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 49.85 Å2; (6)Flash Point: 200.5 °C; (7)Enthalpy of Vaporization: 65.99 kJ/mol; (8)Boiling Point: 408 °C at 760 mmHg; (9)Vapour Pressure: 7.26E-07 mmHg at 25 °C.
Uses of Gly-Gly benzyl ester p-toluenesulfonate salt: it can be used to produce N-Tert-butyloxycarbonyl-glutamyl-glycylglycine benzyl ester. It will need reagent Et3N and solvent dimethylformamide with reaction time of 1 day. The yield is about 60%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H14N2O3.C7H8O3S/c12-6-10(14)13-7-11(15)16-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)
(2)InChIKey: RWBJLSORGVEMHA-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C11H14N2O3.C7H8O3S/c12-6-10(14)13-7-11(15)16-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)
(4)Std. InChIKey: RWBJLSORGVEMHA-UHFFFAOYSA-N