Name: H-TYR-OBZL
SKU: 42406-77-9

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Basic Information

Molecular Structure:
CAS No.:	42406-77-9
Name:	H-TYR-OBZL
Article Data:	17

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