L-Threonine ethyl ester hydrochloride supplier

Name
L-THREONINE ETHYL ESTER HYDROCHLORIDE
EINECS 254-736-4
CAS No. 39994-70-2
Density
Solubility
Melting Point
Formula C₆H₁₄ClNO₃
Boiling Point 254 °C at 760 mmHg
Molecular Weight 183.635
Flash Point 107.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Threonine ethyl•hydrochloride;
PSA 72.55000
LogP 0.75990

L-Threonine ethyl ester hydrochloride Specification

The L-Threonine, ethylester, hydrochloride (1:1), with the CAS registry number of 39994-70-2, is also known as Threonine ethyl•hydrochloride. It belongs to the product category of Amino hydrochloride. Its EINECS registry number is 254-736-4. Its molecular formula is C₆H₁₄ClNO₃ and molecular weight is 183.63. What's more, its systematic name is Ethyl L-threoninate hydrochloride.

Physical properties about the L-Threonine, ethylester, hydrochloride (1:1) are: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.33; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.79; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å²; (13)Flash Point: 107.4 °C; (14)Enthalpy of Vaporization: 57.09 kJ/mol; (15)Boiling Point: 254 °C at 760 mmHg; (16)Vapour Pressure: 0.00271 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCC)[C@@H](N)[C@H](O)C
(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+;/m1./s1
(3) InChIKey: WHKKNTASOQMDMH-JBUOLDKXBY

Product Name

L-THREONINE ETHYL ESTER HYDROCHLORIDE

L-Threonine ethyl ester hydrochloride Specification

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