Name: BZ-MET-NH2
SKU: 52811-71-9

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Basic Information

Molecular Structure:
CAS No.:	52811-71-9
Name:	BZ-MET-NH2

Formula:	C₁₂H₁₆N₂O₂S
Molecular Weight:	252.3326
Synonyms:	N-Benzoyl-DL-methionine amide;NSC 164032;
Density:	1.196 g/cm³
Boiling Point:	550.1 °C at 760 mmHg
Flash Point:	286.5 °C
PSA:	97.49000
LogP:	2.11460

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Specification

The Benzamide, N-[1-(aminocarbonyl)-3-(methylthio)propyl]-, with the CAS registry number 52811-71-9, is also known as N-Benzoyl-DL-methionine amide. This chemical's molecular formula is C₁₂H₁₆N₂O₂S and molecular weight is 252.3326. What's more, its IUPAC name is N-(1-Amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide.

Physical properties about Benzamide, N-[1-(aminocarbonyl)-3-(methylthio)propyl]- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 65.92 Å²; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 69.92 cm³; (9)Molar Volume: 210.9 cm³; (10)Polarizability: 27.72×10^-24 cm³; (11)Surface Tension: 50.2 dyne/cm; (12)Density: 1.196 g/cm³; (13)Flash Point: 286.5 °C; (14)Enthalpy of Vaporization: 83.01 kJ/mol; (15)Boiling Point: 550.1 °C at 760 mmHg; (16)Vapour Pressure: 3.78E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC(C(=O)N)CCSC)c1ccccc1
(2) InChI: InChI=1/C12H16N2O2S/c1-17-8-7-10(11(13)15)14-12(16)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,15)(H,14,16)
(3) InChIKey: NBLKELFQDXBKFY-UHFFFAOYAQ