DL-ALPHA-METHYLTRYPTOPHAN METHYL ESTER HYDROCHLORIDE

The Tryptophan, α-methyl-, methyl ester, with the CAS registry number of 114524-80-0, is also known asα-Methyl-DL-tryptophan methyl ester. It belongs to the product categories of Indoles and Derivatives; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Indole Derivatives. This chemical's molecular formula is C₁₃H₁₆N₂O₂ and molecular weight is 232.28. What's more, its systematic name is called Methyl α-methyltryptophanate. In addition, this chemical may destroy living tissue on contact. Besides, it should be stored at 2-8 °C. And Tryptophan, α-methyl-, methyl ester can be used as tachykinin antagonist.

Physical properties about Tryptophan, α-methyl-, methyl ester are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.24; (7)ACD/KOC (pH 5.5): 1.34; (8)ACD/KOC (pH 7.4): 60.96; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.47 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 67.25 cm³; (15)Molar Volume: 191.4 cm³; (16)Surface Tension: 52.6 dyne/cm; (17)Density: 1.213 g/cm³; (18)Flash Point: 192.3 °C; (19)Enthalpy of Vaporization: 64.43 kJ/mol; (20)Boiling Point: 394.3 °C at 760 mmHg; (21)Vapour Pressure: 2E-06 mmHg at 25 °C.

Uses of Tryptophan, α-methyl-, methyl ester: it is used to produce other chemicals. For example, it is used to produce L-α-Methyltryptophan. This reaction needs reagents H₂O and α-Chymotrypsin. Meanwhile, it needs solvent H₂O. The reaction time is 40 hours with reaction temperature of 37 °C. The yield is about 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C(N)(C)Cc2c1ccccc1nc2
(2) InChI: InChI=1/C13H16N2O2/c1-13(14,12(16)17-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,15H,7,14H2,1-2H3
(3) InChIKey: RCUNGDZWHFRBBP-UHFFFAOYAX