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CAS No.: | 110117-83-4 |
---|---|
Name: | 1-Methyl-D-tryptophan |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C12H14N2O2 |
Molecular Weight: | 218.255 |
Synonyms: | (R)-2-Amino-3-(1-methyl-1H-indol-3-yl)propanoic acid;D-(+)-1-Methyltryptophan;D-1-Methyltryptophan;D-Tryptophan, 1-methyl-;1-Methyl-D-tryptophane; |
Density: | 1.28 g/cm3 |
Melting Point: | 242-245 °C(lit.) |
Boiling Point: | 429.3 °C at 760 mmHg |
Flash Point: | 213.4 °C |
PSA: | 68.25000 |
LogP: | 1.83300 |
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The 1-Methyl-D-tryptophan, with the CAS registry number 110117-83-4, is also known as D-(+)-1-Methyltryptophan. It belongs to the product categories of Amino Acid Derivatives; Peptide Synthesis; Tryptophan. This chemical's molecular formula is C12H14N2O2 and molecular weight is 218.25. What's more, its IUPAC name is (2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides.
Physical properties of 1-Methyl-D-tryptophan are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 34.47 Å2; (9)Index of Refraction: 1.625; (10)Molar Refractivity: 60.13 cm3; (11)Molar Volume: 170 cm3; (12)Surface Tension: 50.4 dyne/cm; (13)Density: 1.28 g/cm3; (14)Flash Point: 213.4 °C; (15)Enthalpy of Vaporization: 72.16 kJ/mol; (16)Boiling Point: 429.3 °C at 760 mmHg; (17)Vapour Pressure: 3.92E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N
(2)Isomeric SMILES: CN1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)N
(3)InChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
(4)InChIKey: ZADWXFSZEAPBJS-SNVBAGLBSA-N