Phenylalanine,N-acetyl-3-fluoro- supplier

Name
N-ACETYL-3-FLUORO-DL-PHENYLALANINE
EINECS 241-579-1
CAS No. 17607-28-2
Article Data8
CAS DataBase
Density 1.273 g/cm³
Solubility
Melting Point 154-157 °C(lit.)
Formula C₁₁H₁₂FNO₃
Boiling Point 450.2 °C at 760 mmHg
Molecular Weight 225.22
Flash Point 226.1 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Alanine,N-acetyl-3-(m-fluorophenyl)-, DL- (8CI);DL-Phenylalanine, N-acetyl-3-fluoro-;N-Acetyl-DL-m-fluorophenylalanine;N-Acetyl-m-fluoro-DL-phenylalanine;NSC 270551;N-Acetyl-3-fluorophenylalanine;
PSA 66.40000
LogP 1.34840

Phenylalanine,N-acetyl-3-fluoro- Specification

The Phenylalanine,N-acetyl-3-fluoro-, with the CAS registry number 17607-28-2, is also known as N-Acetyl-m-fluoro-DL-phenylalanine. This chemical's molecular formula is C₁₁H₁₂FNO₃ and molecular weight is 225.22. What's more, its systematic name is N-Acetyl-3-fluorophenylalanine and its EINECS number is 241-579-1. When using it, you can't breathe dust and you need avoid contact with skin and eyes.

Physical properties of Phenylalanine,N-acetyl-3-fluoro- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 54.84 cm³; (13)Molar Volume: 176.9 cm³; (14)Polarizability: 21.74×10^-24cm³; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.273 g/cm³; (17)Flash Point: 226.1 °C; (18)Enthalpy of Vaporization: 74.72 kJ/mol; (19)Boiling Point: 450.2 °C at 760 mmHg; (20)Vapour Pressure: 6.82E-09 mmHg at 25°C; (21)Rotatable Bond Count: 4; (22)Tautomer Count: 2; (23)Topological Polar Surface Area: 66.4; (24)Heavy Atom Count: 16; (25)Complexity: 270; (26)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O
(2)InChI: InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
(3)InChIKey: LKXNJLVPYPXTDY-UHFFFAOYSA-N

Product Name

N-ACETYL-3-FLUORO-DL-PHENYLALANINE

Phenylalanine,N-acetyl-3-fluoro- Specification

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