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DL-Tryptophan,4-methyl-

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Name

DL-Tryptophan,4-methyl-

EINECS 217-785-2
CAS No. 1954-45-6 Density 1.313 g/cm3
PSA 79.11000 LogP 2.13100
Solubility N/A Melting Point N/A
Formula C12H14N2O2 Boiling Point 454.1 °C at 760 mmHg
Molecular Weight 218.255 Flash Point 228.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1954-45-6 (4-METHYL-DL-TRYPTOPHAN) Hazard Symbols N/A
Synonyms

Tryptophan, 4-methyl-, DL- (8CI);4-Methyl-DL-tryptophan;DL-4-Methyltryptophan;NSC 71048;

Article Data 4

DL-Tryptophan,4-methyl- 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

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