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CAS No.: | 33368-36-4 |
---|---|
Name: | ethyl DL-threoninate hydrochloride |
Molecular Structure: | |
Formula: | C6H14ClNO3 |
Molecular Weight: | 183.635 |
Synonyms: | L-Threonine ethyl ester hydrochloride; |
EINECS: | 251-467-4 |
Boiling Point: | 289.5 °C at 760 mmHg |
Flash Point: | 128.9 °C |
PSA: | 72.55000 |
LogP: | 0.75990 |
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The Threonine, ethyl ester,hydrochloride (1:1), with the CAS registry number of 33368-36-4, is also known as L-Threonine ethyl ester hydrochloride. Its molecular formula is C6H14ClNO3 and molecular weight is 183.63326. What's more, its systematic name is Ethyl L-threoninate hydrochloride.
Physical properties about the Threonine, ethyl 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: 6; (5)Polar Surface Area: 72.55 Å2; (6)Flash Point: 128.9 °C; (7)Enthalpy of Vaporization: 61.37 kJ/mol; (8)Boiling Point: 289.5 °C at 760 mmHg; (9)Vapour Pressure: 0.00024 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCC)[C@@H](N)C(C)O
(2) InChI: InChI=1/C6H13NO3.ClH/c1-3-10-6(9)5(7)4(2)8;/h4-5,8H,3,7H2,1-2H3;1H/t4?,5-;/m0./s1
(3) InChIKey: WHKKNTASOQMDMH-YKXIHYLHBZ