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| CAS No.: | 39878-65-4 |
|---|---|
| Name: | O-METHYL-D-TYROSINE |
| Molecular Structure: | |
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| 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