N-Acetyl-2-(4-fluorophenyl)-DL-beta-alanine supplier

Name
N-ACETYL-2-(4-FLUOROPHENYL)-DL-BETA-ALANINE
EINECS
CAS No. 332052-58-1
Article Data1
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂FNO₃
Boiling Point 449.5 °C at 760 mmHg
Molecular Weight 225.22
Flash Point 225.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Acetamido-3-(4-fluorophenyl)propanoic acid;
PSA 66.40000
LogP 1.86850

N-Acetyl-2-(4-fluorophenyl)-DL-beta-alanine Specification

The Benzenepropanoic acid, β-(acetylamino)-4-fluoro- is an organic compound with the formula C₁₁H₁₂FNO₃. The IUPAC name of this chemical is 3-Acetamido-3-(4-fluorophenyl)propanoic acid. With the CAS registry number 332052-58-1, it is also named as N-Acetyl-2-(4-fluorophenyl)-dl-beta-alanine. Besides, its molecular weight is 225.216.

Physical properties about Benzenepropanoic acid, β-(acetylamino)-4-fluoro- are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): -0.82; (3)ACD/LogD (pH 7.4): -2.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 54.88 cm³; (14)Molar Volume: 177.2 cm³; (15)Polarizability: 21.75×10^-24 cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.27 g/cm³; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 74.63 kJ/mol; (20)Boiling Point: 449.5 °C at 760 mmHg; (21)Vapour Pressure: 7.25E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H12FNO3/c1-7(14)13-10(6-11(15)16)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
(2)InChIKey: AKOVXMLBDXLGSK-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C11H12FNO3/c1-7(14)13-10(6-11(15)16)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
(4)Std. InChIKey: AKOVXMLBDXLGSK-UHFFFAOYSA-N

Product Name

N-ACETYL-2-(4-FLUOROPHENYL)-DL-BETA-ALANINE

N-Acetyl-2-(4-fluorophenyl)-DL-beta-alanine Specification

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