CAS No.1954-45-6,4-METHYL-DL-TRYPTOPHAN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1954-45-6
Name:	4-METHYL-DL-TRYPTOPHAN
Article Data:	4

Formula:	C₁₂H₁₄N₂O₂
Molecular Weight:	218.255
Synonyms:	Tryptophan, 4-methyl-, DL- (8CI);4-Methyl-DL-tryptophan;DL-4-Methyltryptophan;NSC 71048;
EINECS:	217-785-2
Density:	1.313 g/cm³
Boiling Point:	454.1 °C at 760 mmHg
Flash Point:	228.4 °C
PSA:	79.11000
LogP:	2.13100

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Specification

The DL-Tryptophan,4-methyl-, with the CAS registry number 1954-45-6, is also known as DL-4-Methyltryptophan. It belongs to the product categories of Amino Acids; I - Z; Modified Amino Acids. Its EINECS number is 217-785-2. This chemical's molecular formula is C₁₂H₁₄N₂O₂ and molecular weight is 218.25. What's more, its systematic name is 4-Methyl-DL-tryptophan.

Physical properties of DL-Tryptophan,4-methyl- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.47 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 62.59 cm³; (15)Molar Volume: 166.1 cm³; (16)Polarizability: 24.81×10^-24cm³; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 228.4 °C; (20)Enthalpy of Vaporization: 75.2 kJ/mol; (21)Boiling Point: 454.1 °C at 760 mmHg; (22)Vapour Pressure: 4.89E-09 mmHg at 25°C.

Uses of DL-Tryptophan,4-methyl-: it can be used to produce 3-(4-methyl-1H-indol-3-yl)-2-phenylacetylamino-propionic acid. The yield is about 61%.

DL-Tryptophan,4-methyl- can be used to produce 3-(4-methyl-1H-indol-3-yl)-2-phenylacetylamino-propionic acid

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)Cc2c1c(cccc1nc2)C
(2)InChI: InChI=1S/C12H14N2O2/c1-7-3-2-4-10-11(7)8(6-14-10)5-9(13)12(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)
(3)InChIKey: FPJGLSZLQLNZIW-UHFFFAOYSA-N