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Cas Database |
| Name |
N-Acetyl-4-fluoro-DL-phenylalanine |
EINECS | 241-495-5 |
| CAS No. | 17481-06-0 | Density | 1.273 g/cm3 |
| PSA | 66.40000 | LogP | 1.34840 |
| Solubility | N/A | Melting Point |
150-153 °C(lit.) |
| Formula | C11H12FNO3 | Boiling Point | 458.9 °C at 760 mmHg |
| Molecular Weight | 225.22 | Flash Point | 231.3 °C |
| Transport Information | N/A | Appearance | white powder |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Alanine,N-acetyl-3-(p-fluorophenyl)-, DL- (8CI);DL-Phenylalanine, N-acetyl-4-fluoro-;DL-N-Acetyl-4-fluorophenylalanine;N-Acetyl-4-fluoro-DL-phenylalanine;N-Acetyl-DL-(p-fluorophenyl)alanine;N-Acetyl-DL-4-fluorophenylalanine;N-Acetyl-p-fluoro-DL-phenylalanine;NSC 523829; |
Article Data | 3 |
N-Acetyl-4-fluoro-DL-phenylalanine Specification
The cas register number of N-Acetyl-4-fluoro-DL-phenylalanine is 17481-06-0. It also can be called as Phenylalanine,N-acetyl-4-fluoro- and the IUPAC Name about this chemical is 2-acetamido-3-(4-fluorophenyl)propanoic acid. It belongs to the Amino Acids. When you are using it, please avoid contact with skin and eyes.
Physical properties about N-Acetyl-4-fluoro-DL-phenylalanine are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): -1.43; (3)ACD/LogD (pH 7.4): -2.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (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: 46.61Å2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 54.84 cm3; (14)Molar Volume: 176.9 cm3; (15)Polarizability: 21.74x10-24cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Enthalpy of Vaporization: 75.79 kJ/mol; (18)Vapour Pressure: 3.25E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C
(2)InChI: InChI=1/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
(3)InChIKey: NRLBRFQYMSTLJK-JTQLQIEIBG
(4)Std. InChI: InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
(5)Std. InChIKey: NRLBRFQYMSTLJK-JTQLQIEISA-N
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