The IUPAC name of Propanamide,2-[(5-fluoro-2,4-dinitrophenyl)amino]-, (2S)- is (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide. With the CAS registry number 95713-52-3, it is also named as 1-Fluoro-2,4-dinitrophenyl-5-L-ala-NH2. The product's categories are Amino Group Labeling Reagents for HPLC; Analytical Chemistry; e.e. Determination (HPLC Labeling Reagents); Enantiomer Excess & Absolute Configuration Determination; HPLC Labeling Reagents; UV Detection (HPLC Labeling Reagents). It is yellow powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of Propanamide,2-[(5-fluoro-2,4-dinitrophenyl)amino]-, (2S)- can be summarized as: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.16; (6)ACD/BCF (pH 7.4): 15.16; (7)ACD/KOC (pH 5.5): 243.65; (8)ACD/KOC (pH 7.4): 243.65; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 61.73 cm3; (14)Molar Volume: 170.9 cm3; (15)Polarizability: 24.47×10-24 cm3; (16)Surface Tension: 70.4 dyne/cm; (17)Enthalpy of Vaporization: 82.31 kJ/mol; (18)Vapour Pressure: 6.47E-12 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 2; (21)Exact Mass: 272.055698; (22)MonoIsotopic Mass: 272.055698; (23)Topological Polar Surface Area: 147; (24)Heavy Atom Count: 19.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:[O-][N+](=O)c1c(F)cc(N[C@H](C(=O)N)C)c(c1)[N+]([O-])=O
2. InChI:InChI=1/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1
3. InChIKey:NEPLBHLFDJOJGP-BYPYZUCNBB
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