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| CAS No.: | 1835-52-5 |
|---|---|
| Name: | H-DL-ASP(OME)-OH HCL |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C5H10ClNO4 |
| Molecular Weight: | 183.592 |
| Synonyms: | Asparticacid, 4-methyl ester, hydrochloride, DL- (8CI);DL-Aspartic acid, 4-methylester, hydrochloride;β-Methyl DL-aspartate hydrochloride; |
| EINECS: | 217-399-4 |
| Melting Point: | 196-200 °C |
| Boiling Point: | 329 °C at 760 mmHg |
| Flash Point: | 152.8 °C |
| Safety: | 22-24/25 |
| PSA: | 89.62000 |
| LogP: | 0.46370 |
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Specification
This chemical is called 4-Methyl hydrogen DL-aspartate hydrochloride, and its IUPAC name is 2-amino-4-methoxy-4-oxobutanoic acid hydrochloride. With the molecular formula of C5H10ClNO4, its molecular weight is 183.59. The CAS registry number of this chemical is 1835-52-5. In addition, it should be stored at -20 °C.
Other characteristics of the 4-Methyl hydrogen DL-aspartate hydrochloride can be summarised as followings: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 89.62 Å2; (5)Flash Point: 152.8 °C; (6)Enthalpy of Vaporization: 62.82 kJ/mol; (7)Boiling Point: 329 °C at 760 mmHg; (8)Vapour Pressure: 3.6E-05 mmHg at 25°C.
Uses of this chemical: The 4-Methyl hydrogen DL-aspartate hydrochloride could react with phenylacetyl chloride, and obtain the 2-phenylacetylamino-succinic acid 4-methyl ester. This reaction needs the reagent of Na2CO3, and the solvent of methanol, acetone. The yield is 40 %. In addition, this reaction should be taken at the temperature of 0-20 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: Cl.O=C(OC)CC(N)C(O)=O
2.InChI: InChI=1/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H
3.InChIKey: QRBMPUYOGOCYDJ-UHFFFAOYAY