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| CAS No.: | 55-59-4 |
|---|---|
| Name: | (S)-2-AMINO-3-(3,4-DIMETHOXY-PHENYL)-PROPIONIC ACID |
| Molecular Structure: | |
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| Formula: | C11H15NO4 |
| Molecular Weight: | 225.244 |
| Synonyms: | Alanine,3-(3,4-dimethoxyphenyl)- (6CI,7CI,8CI);3,4-Dimethoxyphenylalanine;DL-3,4-Dimethoxyphenylalanine;NSC 121994; |
| Density: | 1.214 g/cm3 |
| Melting Point: | 254-257 °C(lit.) |
| Boiling Point: | 374.3 °C at 760 mmHg |
| Flash Point: | 180.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 81.78000 |
| LogP: | 1.35850 |
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- Total:33 Page 1 of 1 1
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Specification
The Tyrosine,3-methoxy-O-methyl-, with CAS registry number 55-59-4, has the systematic name of 3-methoxy-O-methyl-L-tyrosine. Besides this, it is also called (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid. And the chemical formula of this chemical is C11H15NO4.
Physical properties of Tyrosine,3-methoxy-O-methyl-: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 81.78 Å2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 58.85 cm3; (13)Molar Volume: 185.442 cm3; (14)Polarizability: 23.33×10-24cm3; (15)Surface Tension: 46.868 dyne/cm; (16)Density: 1.215 g/cm3; (17)Flash Point: 180.18 °C; (18)Enthalpy of Vaporization: 65.585 kJ/mol; (19)Boiling Point: 374.316 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Tyrosine,3-methoxy-O-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1cc(OC)c(OC)cc1
(2)InChI: InChI=1/C11H15NO4/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H,13,14)/t8-/m0/s1
(3)InChIKey: VWTFNYVAFGYEKI-QMMMGPOBBG
(4)Std. InChI: InChI=1S/C11H15NO4/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H,13,14)/t8-/m0/s1
(5)Std. InChIKey: VWTFNYVAFGYEKI-QMMMGPOBSA-N