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369-16-4

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Basic Information
CAS No.: 369-16-4
Name: 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Article Data: 7
Molecular Structure:
Molecular Structure of 369-16-4 (4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid)
Formula: C7H10F3NO3S
Molecular Weight: 245.223
Synonyms: DL-Methionine,N-(trifluoroacetyl)-;Methionine, N-(trifluoroacetyl)- (9CI);NSC 306128;
Density: 1.398 g/cm3
Boiling Point: 388.5 °C at 760 mmHg
Flash Point: 188.8 °C
PSA: 91.70000
LogP: 1.26210
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Specification

The Methionine,N-(2,2,2-trifluoroacetyl)- is an organic compound with the formula C7H10F3NO3S. With the CAS registry number 369-16-4, the IUPAC name of this chemical is 4-methylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid.

Physical properties about Methionine,N-(2,2,2-trifluoroacetyl)- are: (1)ACD/LogP: 1.64; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 71.91 Å2; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 48.08 cm3; (12)Molar Volume: 175.3 cm3; (13)Polarizability: 19.06×10-24cm3; (14)Surface Tension: 38.5 dyne/cm; (15)Density: 1.398 g/cm3; (16)Flash Point: 188.8 °C; (17)Enthalpy of Vaporization: 70 kJ/mol; (18)Boiling Point: 388.5 °C at 760 mmHg; (19)Vapour Pressure: 4.08E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)CCSC)C(F)(F)F
(2)InChI: InChI=1/C7H10F3NO3S/c1-15-3-2-4(5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)
(3)InChIKey: JRGQIDFOMSJLPW-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H10F3NO3S/c1-15-3-2-4(5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)
(5)Std. InChIKey: JRGQIDFOMSJLPW-UHFFFAOYSA-N