CAS No.39878-65-4,O-METHYL-D-TYROSINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39878-65-4
Name:	O-METHYL-D-TYROSINE
Article Data:	16

Formula:	C₁₀H₁₃NO₃
Molecular Weight:	195.218
Synonyms:	D-4-Methoxyphenylalanine;D-O-Methyltyrosine;H-D-Phe(4-OMe)-OH;
EINECS:	228-333-9
Density:	1.209 g/cm³
Melting Point:	262-263 °C (decomp)
Boiling Point:	350.6 °C at 760 mmHg
Flash Point:	165.8 °C
Safety:	22-24/25
PSA:	72.55000
LogP:	1.34990

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Specification

The D-Tyrosine,O-methyl-, with CAS registry number 39878-65-4, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Unusual Amino Acids; (4)Amino Acids; (5)I - Z; (6)Modified Amino Acids. It has the systematic name of O-methyl-L-tyrosine. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.

Physical properties of D-Tyrosine,O-methyl-: (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)Enthalpy of Vaporization: 62.81 kJ/mol; (19)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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: GEYBMYRBIABFTA-VIFPVBQESA-N