N-Benzoyl-DL-methionine

The N-Benzoyl-DL-methionine, with the CAS registry number 4703-38-2, is also known as Benzoyl-DL-methionine. It belongs to the product categories of A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₁₂H₁₅NO₃S and molecular weight is 253.32. What's more, its systematic name is N-benzoyl-L-methionine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of N-Benzoyl-DL-methionine are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1.78; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 71.91 Å²; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 67.92 cm³; (14)Molar Volume: 204.7 cm³; (15)Polarizability: 26.92×10^-24cm³; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.237 g/cm³; (18)Flash Point: 274.2 °C; (19)Enthalpy of Vaporization: 84.72 kJ/mol; (20)Boiling Point: 529.7 °C at 760 mmHg; (21)Vapour Pressure: 4.75E-12 mmHg at 25°C.

Uses of N-Benzoyl-DL-methionine: it can be used to produce 4-(2-methylsulfanyl-ethyl)-2-phenyl-4H-oxazol-5-one at the temperature of 0 - 10 °C. It will need reagent N,N'-dicyclohexylcarbodiimide and solvent tetrahydrofuran with the reaction time of 24 hours. The yield is about 54%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. 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: O=C(N[C@H](C(=O)O)CCSC)c1ccccc1
(2)InChI: InChI=1S/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
(3)InChIKey: PPFRJEXUPZWQPI-JTQLQIEISA-N