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CAS No.: | 1080-06-4 |
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Name: | Methyl L-tyrosinate |
Article Data: | 127 |
Molecular Structure: | |
Formula: | C10H13NO3 |
Molecular Weight: | 195.218 |
Synonyms: | Tyrosine,methyl ester, L- (6CI,8CI);(S)-2-Amino-3-(4-hydroxyphenyl)propionic acidmethyl ester;Methyl (2S)-2-amino-3-(4-hydroxyphenyl)propionate;Methyl(2S)-3-(4-hydroxyphenyl)-2-aminopropionate;Methyltyrosinate;Tyrosine methyl ester;L-Tyrosine methyl ester;H-Tyr-OMe;L-Tyrosine, methyl ester;Methyl L-tyrosinate;Tyrosine, methyl ester, L-; |
EINECS: | 214-095-3 |
Density: | 1.21 g/cm3 |
Melting Point: | 134-136 °C(lit.) |
Boiling Point: | 330 °C at 760 mmHg |
Flash Point: | 153.4 °C |
Solubility: | Soluble in water. |
Appearance: | white solid |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 22-24/25 |
PSA: | 72.55000 |
LogP: | 1.13530 |
The L-Tyrosine methyl ester, with the CAS registry number 1080-06-4 and EINECS registry number 214-095-3, has the IUPAC name of methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate. And the molecular formula of this chemical is C10H13NO3. It is a kind of white solid, and belongs to the following product categories: Tyrosine [Tyr, Y]; Amino Acids and Derivatives; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Aromatics; Amino Acid Derivatives; Peptide Synthesis; Tyrosine.
The physical properties of L-Tyrosine methyl ester are as following: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): 0.22; (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): 22.93; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 52.21 cm3; (15)Molar Volume: 161.2 cm3; (16)Polarizability: 20.7×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 59.53 kJ/mol; (21)Boiling Point: 330 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-05 mmHg at 25°C.
You should be cautious while dealing with this irritant chemical: Do not breathe dust and then try to avoid contacting with skin and eyes. What's more, it should be stored at -20°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](N)Cc1ccc(O)cc1
(2)InChI: InChI=1/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
(3)InChIKey: MWZPENIJLUWBSY-VIFPVBQEBR