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CAS No.: | 71953-90-7 |
---|---|
Name: | N-ACETYL-5-METHYL-DL-TRYPTOPHAN |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H16N2O3 |
Molecular Weight: | 260.293 |
Synonyms: | N-Acetyl-5-methyl-L-tryptophan;N-Acetyl-5-methyl-DL-tryptophan; |
Density: | 1.292 g/cm3 |
Boiling Point: | 587.5 °C at 760 mmHg |
Flash Point: | 309.1 °C |
PSA: | 82.19000 |
LogP: | 1.99900 |
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The Tryptophan,N-acetyl-5-methyl-, with the CAS registry number 71953-90-7, is also known as N-Acetyl-5-methyl-DL-tryptophan. It belongs to the product categories of Indoles and Derivatives. This chemical's molecular formula is C14H16N2O3 and molecular weight is 260.29. What's more, its systematic name is N-Acetyl-5-methyl-L-tryptophan. It should be sealed and stored in a cool, ventilated and dry place and be protected from oxides, heat and fire.
Physical properties of Tryptophan,N-acetyl-5-methyl- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 51.54 Å2; (7)Index of Refraction: 1.633; (8)Molar Refractivity: 71.94 cm3; (9)Molar Volume: 201.4 cm3; (10)Polarizability: 28.52×10-24 cm3; (11)Surface Tension: 58.2 dyne/cm; (12)Density: 1.292 g/cm3; (13)Flash Point: 309.1 °C; (14)Enthalpy of Vaporization: 92.27 kJ/mol; (15)Boiling Point: 587.5 °C at 760 mmHg; (16)Vapour Pressure: 1.2E-14 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)C)Cc2c1cc(ccc1nc2)C
(2)InChI: InChI=1/C14H16N2O3/c1-8-3-4-12-11(5-8)10(7-15-12)6-13(14(18)19)16-9(2)17/h3-5,7,13,15H,6H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
(3)InChIKey: GTCLKZDZUKYDDV-ZDUSSCGKBY