(S)-2',6'-Dimethyltyrosine hydrochloride supplier

Name
(S)-2',6'-Dimethyltyrosine hydrochloride
EINECS 1592732-453-0
CAS No. 126312-63-8
Density
Solubility
Melting Point
Formula C₁₁H₁₆ClNO₃
Boiling Point 412.8 °C at 760 mmHg
Molecular Weight 245.706
Flash Point 203.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Tyrosine,2,6-dimethyl-, hydrochloride (9CI);2,6-Dimethyl-L-tyrosine hydrochloride;(S)-2',6'-Dimethyltyrosine hydrochloride;
PSA 83.55000
LogP 2.46570

(S)-2',6'-Dimethyltyrosine hydrochloride Specification

The systematic name of (S)-2',6'-Dimethyltyrosine hydrochloride is (1S)-1-carboxy-2-(4-hydroxy-2,6-dimethylphenyl)ethanaminium chloride. With the CAS registry number 126312-63-8, it is also named as (S)-2-Amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid hydrochloride. The product's category is Pharmacetical. In addition, its molecular formula is C₁₁H₁₆ClNO₃ and its molecular weight is 245.70.

The other characteristics of (S)-2',6'-Dimethyltyrosine hydrochloride can be summarized as: (1)ACD/LogP: 1.30; (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: 4; (8)H bond donors: 4; (9)Freely Rotating Bonds: 5; (10)Nominal mass: 245; (11)Average mass: 245.7026; (12)Monoisotopic mass: 245.081871; (13)Polar Surface Area: 35.53 Å²; (14)Flash Point: 203.4 °C; (15)Enthalpy of Vaporization: 70.16 kJ/mol; (16)Boiling Point: 412.8 °C at 760 mmHg; (17)Vapour Pressure: 1.49E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Cl-].O=C(O)[C@H](Cc1c(cc(O)cc1C)C)[NH3+]
(2)InChI:InChI=1/C11H15NO3.ClH/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15;/h3-4,10,13H,5,12H2,1-2H3,(H,14,15);1H/t10-;/m0./s1
(3)InChIKey:WEZPIGXFXWUCDS-PPHPATTJBB
(4)Std. InChI:InChI=1S/C11H15NO3.ClH/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15;/h3-4,10,13H,5,12H2,1-2H3,(H,14,15);1H/t10-;/m0./s1
(5)Std. InChIKey:WEZPIGXFXWUCDS-PPHPATTJSA-N

Product Name

(S)-2',6'-Dimethyltyrosine hydrochloride

(S)-2',6'-Dimethyltyrosine hydrochloride Specification

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