CAS No.6230-11-1,4-Methoxy-L-phenylalanine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6230-11-1
Name:	4-Methoxy-L-phenylalanine
Article Data:	36

Formula:	C₁₀H₁₃NO₃
Molecular Weight:	195.218
Synonyms:	NSC 30082;O-Methyl-L-tyrosine;O-Methyltyrosine;p-Methoxy-L-phenylalanine;b-(4-Methoxyphenyl)-L-alanine;H-Tyr(Me)-OH;Alanine,3-(p-methoxyphenyl)-, L- (8CI);L-4-Methoxyphenylalanine;L-O-Methyltyrosine;L-Tyrosine methyl ether;
EINECS:	228-333-9
Density:	1.209 g/cm³
Melting Point:	259-261 °C (dec.)(lit.)
Boiling Point:	350.6 °C at 760 mmHg
Flash Point:	165.8 °C
Solubility:	Very soluble in water
Appearance:	white to very slightly beige powder
Safety:	22-24/25
PSA:	72.55000
LogP:	1.34990

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Specification

The 4-Methoxy-L-phenylalanine, with the CAS registry number 6230-11-1 and EINECS registry number 228-333-9, has the systematic name of O-methyl-L-tyrosine. And the molecular formula of this chemical is C₁₀H₁₃NO₃. It is a kind of white to very slightly beige powder, and belongs to the following product categories: Unusual Amino Acids; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of 4-Methoxy-L-phenylalanine are as following: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.48; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 52.17 cm³; (15)Molar Volume: 161.4 cm³; (16)Polarizability: 20.68×10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.209 g/cm³; (19)Flash Point: 165.8 °C; (20)Enthalpy of Vaporization: 62.81 kJ/mol; (21)Boiling Point: 350.6 °C at 760 mmHg; (22)Vapour Pressure: 1.62E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1ccc(OC)cc1
(2)InChI: InChI=1/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
(3)InChIKey: GEYBMYRBIABFTA-VIFPVBQEBZ