CAS No.300-48-1,3-METHOXY-L-TYROSINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	300-48-1
Name:	3-METHOXY-L-TYROSINE
Article Data:	7

Formula:	C₁₀H₁₃NO₄
Molecular Weight:	211.218
Synonyms:	Tyrosine,3-methoxy-, L- (8CI);3-Methoxy-DOPA;3-Methoxy-L-tyrosine;3-O-Methyl-L-DOPA;3-O-Methyldopa;L-3-Methoxy-4-hydroxyphenylalanine;L-3-O-Methyl-DOPA;L-4-Hydroxy-3-methoxyphenylalanine;
Density:	1.321 g/cm³
Boiling Point:	407.3 °C at 760 mmHg
Flash Point:	200.1 °C
PSA:	92.78000
LogP:	1.05550

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Specification

The L-Tyrosine, 3-methoxy-, with the CAS registry number 300-48-1, is also known as 3-Methoxy-L-tyrosine. This chemical's molecular formula is C₁₀H₁₃NO₄ and molecular weight is 211.21. What's more, its IUPAC name is called (2S)-2-Amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid.

Physical properties about L-Tyrosine, 3-methoxy- are: (1) ACD/LogP: 0.08; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.42; (4) ACD/LogD (pH 7.4): -2.42; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 48 Å²; (13) Index of Refraction: 1.591; (14) Molar Refractivity: 54.05 cm³; (15) Molar Volume: 159.8 cm³; (16) Surface Tension: 59.2 dyne/cm; (17) Density: 1.321 g/cm³; (18) Flash Point: 200.1 °C; (19) Enthalpy of Vaporization: 69.51 kJ/mol; (20) Boiling Point: 407.3 °C at 760 mmHg; (21) Vapour Pressure: 2.3E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)Cc1cc(OC)c(O)cc1
(2) InChI: InChI=1/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
(3) InChIKey: PFDUUKDQEHURQC-ZETCQYMHBZ