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

Name
AC-TYR-OME H2O
EINECS
CAS No. 2440-79-1
Article Data27
CAS DataBase
Density 1.207 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₄
Boiling Point 457 °C at 760 mmHg
Molecular Weight 237.255
Flash Point 230.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl (2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoate;
PSA 75.63000
LogP 1.00330

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

Product Name

AC-TYR-OME H2O

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

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