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L-Methionine tert-butyl ester hydrochloride

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Name

L-Methionine tert-butyl ester hydrochloride

EINECS 1592732-453-0
CAS No. 91183-71-0 Density 1.033g/cm3
PSA 77.62000 LogP 2.91080
Solubility N/A Melting Point N/A
Formula C9H20ClNO2S Boiling Point 315.6 °C at 760 mmHg
Molecular Weight 241.782 Flash Point 144.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 91183-71-0 (H-MET-OTBU HCL) Hazard Symbols N/A
Synonyms

L-Methionine,1,1-dimethylethyl ester, hydrochloride (9CI);Methionine tert-butyl esterhydrochloride;tert-Butyl L-methionate hydrochloride;

 

L-Methionine tert-butyl ester hydrochloride Specification

The L-Methionine tert-butyl ester hydrochloride, with the CAS registry number 91183-71-0, is also known as Methionine tert-butyl esterhydrochloride. It belongs to the product categories of Amino Acids and Derivatives; Amino Acid Derivatives. This chemical's molecular formula is C9H20ClNO2S and molecular weight is 241.78. What's more, its systematic name is called tert-Butyl L-methioninate hydrochloride.

Physical properties about L-Methionine tert-butyl ester hydrochloride are: (1) ACD/LogP: 1.80; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 77.62 Å2; (7) Flash Point: 144.7 °C; (8) Enthalpy of Vaporization: 56.79 kJ/mol; (9) Boiling Point: 315.6 °C at 760 mmHg; (10) Vapour Pressure: 0.000318 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N[C@@H](CCSC)C(=O)OC(C)(C)C.Cl
(2) InChI: InChI=1/C9H19NO2S.ClH/c1-9(2,3)12-8(11)7(10)5-6-13-4;/h7H,5-6,10H2,1-4H3;1H/t7-;/m0./s1
(3) InChIKey: KZJQROCWHZGZBJ-FJXQXJEOBH

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