L-Tyrosine,3-methoxy-O-methyl- (32161-30-1)

The 3,4-Dimethoxy-L-phenylalanine, with the cas registry number of 32161-30-1, is also known as 3-(3,4-Dimethoxyphenyl)-L-alanine and L-Tyrosine, 3-methoxy-O-methyl-. It belongs to the product categories of Amino Acids & Derivatives; Aromatics; Peptide Synthesis; Phenylalanine Derivatives; Unnatural Amino Acid Derivatives. This chemical's molecular formula is C₁₁H₁₅NO₄ and formula weight is 225.24. What's more, its IUPAC name is called (2S)-2-Amino-3-(3,4-dimethoxyphenyl)propanoic acid. This chemical is white solid and it can be used as DOPA intermediate.

Physical properties about this chemical are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 81.78 Å²; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 58.85 cm³; (13)Molar Volume: 185.442 cm³; (14)Surface Tension: 46.868 dyne/cm; (15)Density: 1.215 g/cm³; (16)Flash Point: 180.18 °C; (17)Enthalpy of Vaporization: 65.585 kJ/mol; (18)Boiling Point: 374.316 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C; (20)Melting Point: 254-257 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It can irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)CC(C(=O)O)N)OC;
(2)Isomeric SMILES: COC1=C(C=C(C=C1)C[C@@H](C(=O)O)N)OC;
(3)InChI: InChI=1S/C11H15NO4/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H,13,14)/t8-/m0/s1;
(4)InChIKey: VWTFNYVAFGYEKI-QMMMGPOBSA-N.