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| CAS No.: | 62076-66-8 |
|---|---|
| Name: | DL-THREONINE METHYL ESTER HYDROCHLORIDE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C6H14ClNO3 |
| Molecular Weight: | 169.608 |
| Synonyms: | DL-Threonine methyl ester hydrochloride; |
| Melting Point: | 125℃ |
| Boiling Point: | 274.4 °C at 760 mmHg |
| Flash Point: | 119.8 °C |
| PSA: | 72.55000 |
| LogP: | 0.36980 |
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Specification
The Threonine,methyl ester, hydrochloride (1:1), with the CAS registry number of 62076-66-8, is also known as DL-Threonine methyl ester hydrochloride. Its molecular formula is C6H14ClNO3 and molecular weight is 183.6333. What's more, its systematic name is Methyl (2S)-2-amino-3-hydroxy-butanoate hydrochloride.
Physical properties about the Threonine,methyl ester, hydrochloride (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 72.55 Å2; (6)Flash Point: 119.8 °C; (7)Enthalpy of Vaporization: 59.53 kJ/mol; (8)Boiling Point: 274.4 °C at 760 mmHg; (9)Vapour Pressure: 0.000687 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.COC(=O)[C@@H](N)C(C)O
(2) InChI: InChI=1/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3?,4-;/m0./s1
(3) InChIKey: OZSJLLVVZFTDEY-LXNQBTANBA