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L-Tyrosine, N-acetyl-,methyl ester

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Name

L-Tyrosine, N-acetyl-,methyl ester

EINECS N/A
CAS No. 2440-79-1 Density 1.207 g/cm3
PSA 75.63000 LogP 1.00330
Solubility N/A Melting Point N/A
Formula C12H15NO4 Boiling Point 457 °C at 760 mmHg
Molecular Weight 237.255 Flash Point 230.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2440-79-1 (AC-TYR-OME H2O) Hazard Symbols N/A
Synonyms

Methyl (2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoate;

Article Data 27

L-Tyrosine, N-acetyl-,methyl ester Specification

The L-Tyrosine, N-acetyl-,methyl ester, with the CAS registry number of 2440-79-1, is also known as Methyl (2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoate. It belongs to the product category of Amino Acids. Its molecular formula is C12H15NO4 and molecular weight is 237.25. What's more, its systematic name is Methyl N-acetyl-L-tyrosinate.

Physical properties about the L-Tyrosine, N-acetyl-,methyl ester are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 61.57 cm3; (9)Molar Volume: 196.5 cm3; (10)Surface Tension: 46.5 dyne/cm; (11)Density: 1.207 g/cm3; (12)Flash Point: 230.2 °C; (13)Enthalpy of Vaporization: 74.46 kJ/mol; (14)Boiling Point: 457 °C at 760 mmHg; (15)Vapour Pressure: 5.67E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@@H](NC(=O)C)Cc1ccc(O)cc1
(2) InChI: InChI=1/C12H15NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3-6,11,15H,7H2,1-2H3,(H,13,14)/t11-/m0/s1
(3) InChIKey: KRMVXLWZDYZILN-NSHDSACABO

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