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DL-alpha-Methyltyrosine (658-48-0)

Identification
Name:DL-alpha-Methyltyrosine
Synonyms:Tyrosine,R-methyl-;Racemetirosina [INN-Spanish];alpha-Methyltyrosine;alpha-Methylparatyrosine, DL-;4-14-00-02453 (Beilstein Handbook Reference);Tyrosine, alpha-methyl-;(2S)-2-azaniumyl-3-(4-hydroxyphenyl)-2-methyl-propanoate;( -)-alpha-Methyl-DL-tyrosine;(2R)-2-azaniumyl-3-(4-hydroxyphenyl)-2-methyl-propanoate;alpha-Methyl-p-tyrosine;Racemetirosine [INN];r-MPT;H 9/88;Racemetirosinum [INN-Latin];Racemetirosine;(R,S)-2-Amino-3-(4-hydroxyphenyl)-2-methylpropionsaeure;620-30-4;Metyrosine, DL-;2-amino-3-(4-hydroxyphenyl)-2-methyl-propanoic acid;alpha-Methyl-DL-Tyrosine;H-DL-(Me)Tyr-OH;
CAS:658-48-0
EINECS: 211-523-0
Molecular Formula: C10H13NO3
Molecular Weight: 195.21512
InChI: InChI=1/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m1/s1
Molecular Structure: (C10H13NO3) Tyrosine,R-methyl-;Racemetirosina [INN-Spanish];alpha-Methyltyrosine;alpha-Methylparatyrosine, DL-;4...
Properties
Density:1.283 g/cm3
Refractive index:1.575
Appearance:off-white fine powder
Specification:

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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