N-Acetyl-2-fluoro-DL-phenylalanine supplier

Name
N-ACETYL-2-FLUORO-DL-PHENYLALANINE
EINECS 266-409-3
CAS No. 66574-84-3
Article Data4
CAS DataBase
Density 1.273 g/cm³
Solubility
Melting Point 153-155 °C(lit.)
Formula C₁₁H₁₂FNO₃
Boiling Point 453.5 °C at 760 mmHg
Molecular Weight 225.22
Flash Point 228 °C
Transport Information
Appearance white to off-white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms DL-Phenylalanine,N-acetyl-2-fluoro-;N-Acetyl-2-fluoro-DL-phenylalanine;NSC 270550;
PSA 66.40000
LogP 1.34840

N-Acetyl-2-fluoro-DL-phenylalanine Specification

This chemical is called N-Acetyl-2-fluoro-DL-phenylalanine, and its IUPAC name is 2-acetamido-3-(2-fluorophenyl)propanoic acid. With the molecular formula of C₁₁H₁₂FNO₃, its molecular weight is 225.22. The CAS registry number of this chemical is 66574-84-3, and its product category is Amino Acids. Additionally, this chemical is white to off-white powder. It should be stored sealed in the cool and dry place, away from oxides. Avoid contacting with skin and eyes when you use it.

Other characteristics of the N-Acetyl-2-fluoro-DL-phenylalanine can be summarised as followings: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 54.84 cm³; (15)Molar Volume: 176.9 cm³; (16)Polarizability: 21.74×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.273 g/cm³; (19)Flash Point: 228 °C; (20)Enthalpy of Vaporization: 75.12 kJ/mol; (21)Boiling Point: 453.5 °C at 760 mmHg; (22)Vapour Pressure: 5.17E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccccc1CC(C(=O)O)NC(=O)C
2.InChI: InChI=1/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
3.InChIKey: ZKZPFAQDTBSPJH-UHFFFAOYAR

Product Name

N-ACETYL-2-FLUORO-DL-PHENYLALANINE

N-Acetyl-2-fluoro-DL-phenylalanine Specification

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