CAS No.324028-06-0,N-ACETYL-3-(3,4,5-TRIFLUORO-PHENYL)-DL-ALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	324028-06-0
Name:	N-ACETYL-3-(3,4,5-TRIFLUORO-PHENYL)-DL-ALANINE
Article Data:	1

Formula:	C₁₁H₁₀F₃NO₃
Molecular Weight:	261.201
Synonyms:	2-acetamido-3-(3,4,5-trifluorophenyl)propanoic acid;
Density:	1.409 g/cm³
Boiling Point:	446.7 °C at 760 mmHg
Flash Point:	223.9 °C
PSA:	66.40000
LogP:	1.62660

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Specification

The CAS register number of Phenylalanine,N-acetyl-3,4,5-trifluoro- is 324028-06-0. It also can be called as N-Acetyl-3-(3,4,5-trifluoro-phenyl)-DL-alanine and the IUPAC name about this chemical is 2-(2-oxoethylamino)-3-(3,4,5-trifluorophenyl)propanoic acid. The molecular formula about this chemical is C₁₁H₁₀F₃NO₃ and the molecular weight is 261.1972096.

Physical properties about Phenylalanine,N-acetyl-3,4,5-trifluoro- are: (1)ACD/LogP: 0.79; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 66.4 Å²; (6)Index of Refraction: 1.503; (7)Molar Refractivity: 54.82 cm³; (8)Molar Volume: 185.3 cm³; (9)Polarizability: 21.73x10^-24cm³; (10)Surface Tension: 43.8 dyne/cm; (11)Flash Point: 223.9 °C; (12)Enthalpy of Vaporization: 74.28 kJ/mol; (13)Boiling Point: 446.7 °C at 760 mmHg; (14)Vapour Pressure: 9.23E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(CC(NC(C)=O)C(O)=O)cc(F)c1F
(2)InChI: InChI=1/C11H10F3NO3/c1-5(16)15-9(11(17)18)4-6-2-7(12)10(14)8(13)3-6/h2-3,9H,4H2,1H3,(H,15,16)(H,17,18)
(3)InChIKey: MJBCGFLRYSZAPQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H10F3NO3/c1-5(16)15-9(11(17)18)4-6-2-7(12)10(14)8(13)3-6/h2-3,9H,4H2,1H3,(H,15,16)(H,17,18)
(5)Std. InChIKey: MJBCGFLRYSZAPQ-UHFFFAOYSA-N