Name: Ethyl N-benzoyl-L-tyrosinate
SKU: 3483-82-7

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Basic Information

Molecular Structure:
CAS No.:	3483-82-7
Name:	Ethyl N-benzoyl-L-tyrosinate
Article Data:	7

Formula:	C₁₈H₁₉NO₄
Molecular Weight:	313.353
Synonyms:	Tyrosine,N-benzoyl-, ethyl ester, L- (8CI);Benzoyltyrosine ethyl ester;EthylN-benzoyl-L-tyrosinate;Ethyl benzoyltyrosinate;N-Benzoyl-L-tyrosine ethylester;N-Benzoyltyrosine ethyl ester;NSC 75895;
EINECS:	222-469-2
Density:	1.21 g/cm³
Melting Point:	118-121 °C(lit.)
Boiling Point:	557.3 °C at 760 mmHg
Flash Point:	290.8 °C
Appearance:	White to off-white crystals.
Safety:	22-24/25
PSA:	75.63000
LogP:	2.68730

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Specification

This chemical is called Ethyl N-benzoyl-L-tyrosinate, and it can also be named as Benzoyltyrosine ethyl ester. With the molecular formula of C₁₈H₁₉NO₄, its product categories are Amino Acids Derivatives; Tyrosine [Tyr, Y]; Amino Acid Ethyl Esters; Amino Acids (C-Protected); Biochemistry; Fmoc-Amino Acid Series. The CAS registry number of this chemical is 3483-82-7. In addition, this chemical should be sealed below 0 °C . If you use this chemical, please avoid contacting with skin and eyes.

Other characteristics of the Ethyl N-benzoyl-L-tyrosinate can be summarised as followings: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 56.02; (6)ACD/BCF (pH 7.4): 55.79; (7)ACD/KOC (pH 5.5): 620.95; (8)ACD/KOC (pH 7.4): 618.42; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 86.5 cm³; (15)Molar Volume: 258.7 cm³; (16)Polarizability: 34.29×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 290.8 °C; (20)Enthalpy of Vaporization: 87.03 kJ/mol; (21)Boiling Point: 557.3 °C at 760 mmHg; (22)Vapour Pressure: 5.02E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)[C@@H](NC(=O)c1ccccc1)Cc2ccc(O)cc2
2.InChI: InChI=1/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
3.InChIKey: SRLROPAFMUDDRC-INIZCTEOBT