CAS No.5619-09-0,DL-TRYPTOPHAN METHYL ESTER HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5619-09-0
Name:	DL-TRYPTOPHAN METHYL ESTER HYDROCHLORIDE
Article Data:	106

Formula:	C₁₂H₁₄N₂O₂^.HCl
Molecular Weight:	254.716
Synonyms:	DL-Tryptophan,methyl ester, monohydrochloride;Tryptophan, methyl ester, hydrochloride, DL-(8CI);Tryptophan, methyl ester, monohydrochloride (9CI);DL-Methyltryptophanate monohydrochloride;NSC 34498;
EINECS:	1533716-785-6
Density:	1.245g/cm3
Melting Point:	221-222 °C
Boiling Point:	390.6 °C at 760 mmHg
Flash Point:	190 °C
Appearance:	White crystalline powder
Hazard Symbols:	Xi,Xn
PSA:	68.11000
LogP:	2.71300

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Specification

The H-DL-Trp-OMe^.HCl, with the CAS registry number 5619-09-0, has the systematic name of 3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-aminium chloride. It is a kind of off-white solid, and belongs to the following product categories: Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. And it should be stored at 2-8°C. The molecular formula of the chemical is C₁₂H₁₄N₂O₂^.HCl.

The characteristics of H-DL-Trp-OMe^.HCl are as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 30.71; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 31.23 Å²; (13)Flash Point: 190 °C; (14)Enthalpy of Vaporization: 64.01 kJ/mol; (15)Boiling Point: 390.6 °C at 760 mmHg; (16)Vapour Pressure: 2.62E-06 mmHg at 25°C.

Uses of H-DL-Trp-OMe·HCl: It can react with (R)-1-phenyl-ethyl isocyanate to produce (R)-α-methylbenzylcarbamoyl-DL-tryptophan methyl ester. This reaction will need reagent Et₃N, and the menstruum CH₂Cl₂. And the yield is about 70%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].O=C(OC)C([NH3+])Cc2c1ccccc1nc2
(2)InChI: InChI=1/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H
(3)InChIKey: XNFNGGQRDXFYMM-UHFFFAOYAN