The DL-alpha-Methyltyrosine is an organic compound with the formula C10H13NO3. The IUPAC name of this chemical is 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid. With the CAS registry number 658-48-0, it is also named as (-)-(S)-2-Amino-3-(4-hydroxyphenyl)-2-methylpropionsaeure. The product's classification codes are Drug / Therapeutic Agent; Enzyme inhibitors. Besides, it is an off-white fine powder. When you are using it, avoid contact with skin and eyes and do not breathe dust.
Physical properties about DL-alpha-Methyltyrosine are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): -1.77; (3)ACD/LogD (pH 7.4): -1.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 52.01 cm3; (14)Molar Volume: 152 cm3; (15)Polarizability: 20.62×10-24cm3; (16)Surface Tension: 60.6 dyne/cm; (17)Density: 1.283 g/cm3; (18)Flash Point: 185.9 °C; (19)Enthalpy of Vaporization: 66.7 kJ/mol; (20)Boiling Point: 383.7 °C at 760 mmHg; (21)Vapour Pressure: 1.42E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@](N)(Cc1ccc(O)cc1)C
(2)InChI: InChI=1/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m1/s1
(3)InChIKey: NHTGHBARYWONDQ-SNVBAGLBBN
(4)Std. InChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m1/s1
(5)Std. InChIKey: NHTGHBARYWONDQ-SNVBAGLBSA-N
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