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| CAS No.: | 7635-29-2 |
|---|---|
| Name: | H-DL-TYR(ME)-OH |
| Molecular Structure: | |
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| Formula: | C10H13NO3 |
| Molecular Weight: | 195.218 |
| Synonyms: | p-Methoxy-DL-phenylalanine; |
| Density: | 1.209 g/cm3 |
| Melting Point: | 285-287 °C (decomp) |
| Boiling Point: | 350.6 °C at 760 mmHg |
| Flash Point: | 165.8 °C |
| PSA: | 72.55000 |
| LogP: | 1.34990 |
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- Total:36 Page 1 of 1 1
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Specification
The Tyrosine,O-methyl-, with CAS registry number 7635-29-2, has the systematic name of O-methyl-L-tyrosine. Besides this, it is also called 4-Methoxy-L-phenylalanine. This chemical should be stored at room temperature. And the chemical formula of this chemical is C10H13NO3.
Physical properties of 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)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
(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