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N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1)

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Name

N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1)

EINECS N/A
CAS No. 94367-35-8 Density N/A
PSA 147.93000 LogP 3.52690
Solubility N/A Melting Point N/A
Formula C17H19F3N2O5S Boiling Point 560.6 °C at 760 mmHg
Molecular Weight 420.4 Flash Point 292.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 94367-35-8 (L-METHIONINE 4-METHYL-7-COUMARINYLAMIDE TRIFLUOROACETATE) Hazard Symbols IrritantXi
Synonyms

N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate;Acetic acid, 2,2,2-trifluoro-, compd. with (2S)-2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4-(methylthio)butanamide (1:1);(2S)-2-Amino-N-(4-methyl-2-oxochromen-7-yl)-4-methylthiobutanamide, 2,2,2-trifluoroacetic acid;L-Methionine 7-amido-4-methylcoumarin trifluoroacetate salt;

 

N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1) Specification

The N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1), with the CAS registry number 94367-35-8, is also known as L-Methionine 7-amido-4-methylcoumarin trifluoroacetate salt. It belongs to the product categories of AminopeptidaseEnzyme Substrates; AlphabeticalEnzyme Substrates; Calpain; Fluorescent Enzyme Substrates; Fluorescent Probes, Labels, Particles and Stains; Substrates by Enzyme. This chemical's molecular formula is C17H19F3N2O5S and molecular weight is 420.4. What's more, its systematic name is N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate.

Physical properties of N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1) are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.3; (7)ACD/KOC (pH 5.5): 10.59; (8)ACD/KOC (pH 7.4): 124.54; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.15 Å2; (13)Flash Point: 292.8 °C; (14)Enthalpy of Vaporization: 84.32 kJ/mol; (15)Boiling Point: 560.6 °C at 760 mmHg; (16)Vapour Pressure: 1.35E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)O.O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)[C@@H](N)CCSC
(2)InChI: InChI=1S/C15H18N2O3S.C2HF3O2/c1-9-7-14(18)20-13-8-10(3-4-11(9)13)17-15(19)12(16)5-6-21-2;3-2(4,5)1(6)7/h3-4,7-8,12H,5-6,16H2,1-2H3,(H,17,19);(H,6,7)/t12-;/m0./s1
(3)InChIKey: VSAUWUJWXBUSEU-YDALLXLXSA-N

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