CAS No.58690-81-6,BZ-TYR-NH2 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	58690-81-6
Name:	BZ-TYR-NH2

Formula:	C₁₆H₁₆N₂O₃
Molecular Weight:	284.315
Synonyms:	N-Benzoyl-4-hydroxy-L-phenylalaninamide;N-Benzoyl-L-tyrosinamide;N-Benzoyltyrosine amide;
EINECS:	261-392-9
Density:	1.274 g/cm³
Boiling Point:	642 °C at 760 mmHg
Flash Point:	342.1 °C
Appearance:	crystalline
PSA:	92.42000
LogP:	2.30980

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Specification

This chemical is called (S)-2-Benzamido-3-(p-hydroxyphenyl)propionamide, and its CAS registry number is 58690-81-6. With the molecular formula of C₁₆H₁₆N₂O₃, its molecular weight is 284.31. Additionally, its product categories are Substrates; Amino Acid Derivatives; Amino Acids; A - H; Amino Acids; Modified Amino Acids. It should be stored at the temperature of -20°C.

Other characteristics of the (S)-2-Benzamido-3-(p-hydroxyphenyl)propionamide can be summarised as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.49; (6)ACD/BCF (pH 7.4): 7.47; (7)ACD/KOC (pH 5.5): 147.13; (8)ACD/KOC (pH 7.4): 146.65; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 79.03 cm³; (15)Molar Volume: 223 cm³; (16)Polarizability: 31.33×10^-24cm³; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 342.1 °C; (20)Enthalpy of Vaporization: 98.21 kJ/mol; (21)Boiling Point: 642 °C at 760 mmHg; (22)Vapour Pressure: 4.44E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N)[C@@H](NC(=O)c1ccccc1)Cc2ccc(O)cc2
2.InChI: InChI=1/C16H16N2O3/c17-15(20)14(10-11-6-8-13(19)9-7-11)18-16(21)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,17,20)(H,18,21)/t14-/m0/s1 3.InChIKey: QYBPBEKJXBRSGI-AWEZNQCLBA