N-FORMYL-L-METHIONINE

The Methionine, N-formyl-, with the CAS registry number of 4309-82-4, is also known as N-Formyl-DL-methionine. It belongs to the product categories of Amino Acids; Biochemistry; Biological-modified Amino Acids. Its EINECS registry number is 224-322-8. This chemical's molecular formula is C₆H₁₁NO₃S and molecular weight is 177.22. What's more, its IUPAC name is 2-Formamido-4-methylsulfanylbutanoic acid. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at -20 °C. Meanwhile, it should be avoided contact with light.

Physical properties about Methionine, N-formyl- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 71.91 Å²; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 43.14 cm³; (13)Molar Volume: 142.6 cm³; (14)Surface Tension: 49 dyne/cm; (15)Density: 1.242 g/cm³; (16)Flash Point: 228.1 °C; (17)Enthalpy of Vaporization: 78.14 kJ/mol; (18)Boiling Point: 453.5 °C at 760 mmHg; (19)Vapour Pressure: 1.74E-09 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Methionine with Formic acid by heating. The reaction needs solvent Dimethylformamide. The reaction time is 15 minutes. The yield is about 94 %.

Uses: it is used to produce other chemicals. For example, it is used to produce N-{1-[N', N'-Bis-(2-chloro-ethyl)-hydrazinocarbonyl]-3-methylsulfanyl-propyl}-formamide. The reaction needs reagent DCC and solvent CHCl₃. Other conditions of this reaction are 1) 0 °C, 4 h; 2) 1 h, room temp.. The yield is about 47.6 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CN[C@H](C(=O)O)CCSC
(2) InChI: InChI=1/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
(3) InChIKey: PYUSHNKNPOHWEZ-YFKPBYRVBS