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| CAS No.: | 22728-89-8 |
|---|---|
| Name: | 4-methyl hydrogen D-aspartate hydrochloride |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H9NO4·ClH |
| Molecular Weight: | 183.592 |
| Synonyms: | Asparticacid, 4-methyl ester, hydrochloride, D- (7CI,8CI);D-Aspartic acid, 4-methyl ester, hydrochloride (9CI); |
| EINECS: | 245-179-8 |
| Boiling Point: | 329 °C at 760 mmHg |
| Flash Point: | 152.8 °C |
| PSA: | 100.62000 |
| LogP: | 0.88840 |
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Specification
The 4-Methyl hydrogen D-aspartate hydrochloride, with the CAS registry number 22728-89-8, is also known as D-Aspartic acid, 4-methyl ester, hydrochloride (9CI). Its EINECS number is 245-179-8. This chemical's molecular formula is C5H9NO4·ClH and molecular weight is 184.60. What's more, its systematic name is (2R)-2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride.
Physical properties of 4-Methyl hydrogen D-aspartate hydrochloride are: (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.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)C[C@@H](N)C(O)=O
(2)Std. InChI: InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m1./s1
(3)Std. InChIKey: QRBMPUYOGOCYDJ-AENDTGMFSA-N