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| CAS No.: | 42406-77-9 |
|---|---|
| Name: | H-TYR-OBZL |
| Molecular Structure: | |
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| Formula: | C16H17NO3 |
| Molecular Weight: | 271.316 |
| Synonyms: | (S)-2-Amino-3-(4-hydroxyphenyl)propionicacid benzyl ester;Benzyl tyrosinate;NSC 206295;Tyrosine benzyl ester;(S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate; |
| Density: | 1.222 g/cm3 |
| Melting Point: | 227-230 °C |
| Boiling Point: | 438.691 °C at 760 mmHg |
| Flash Point: | 219.113 °C |
| PSA: | 72.55000 |
| LogP: | 2.70570 |
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Specification
The L-Tyrosine benzyl ester, with the CAS registry number 42406-77-9, is also known as (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate. This chemical's molecular formula is C16H17NO3 and molecular weight is 271.31. What's more, its systematic name is Benzyl L-tyrosinate. This chemical should be sealed and stored in a cool and dry place.
Physical properties of L-Tyrosine benzyl ester are: (1)ACD/LogP: 2.211; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 15.56; (7)ACD/KOC (pH 5.5): 6.15; (8)ACD/KOC (pH 7.4): 209.61; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 72.55 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 76.706 cm3; (15)Molar Volume: 221.932 cm3; (16)Polarizability: 30.408×10-24cm3; (17)Surface Tension: 54.0 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 219.113 °C; (20)Enthalpy of Vaporization: 72.235 kJ/mol; (21)Boiling Point: 438.691 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)[C@@H](N)Cc2ccc(O)cc2
(2)Std. InChI: InChI=1S/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/t15-/m0/s1
(3)Std. InChIKey: BVCTWRNVKLXEQC-HNNXBMFYSA-N