Nα-(2,4-Dinitro-5-fluorophenyl)-L-alanine amide - CAS 95713-52-3
Catalog: |
BB041824 |
Product Name: |
Nα-(2,4-Dinitro-5-fluorophenyl)-L-alanine amide |
CAS: |
95713-52-3 |
Synonyms: |
FDNP-L-Ala-NH2; Marfey's reagent; (S)-2-((5-Fluoro-2,4-dinitrophenyl)amino)propanamide |
IUPAC Name: | (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide |
Description: | A derivatizing chiral agent that can be used for detection of underivatized amino acids in HPLC. |
Molecular Weight: | 272.20 |
Molecular Formula: | C9H9N4O5F |
Canonical SMILES: | CC(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F |
InChI: | InChI=1S/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 |
InChI Key: | NEPLBHLFDJOJGP-BYPYZUCNSA-N |
Boiling Point: | 544.5 ℃ at 760 mmHg |
Melting Point: | >148 ℃ (dec.) |
Purity: | ≥ 98 % (HPLC) |
Density: | 1.592 g/cm3 |
Appearance: | Yellow solid |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD00042049 |
LogP: | 2.74750 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23533053 | 20130901 | Isomerization and epimerization of the aspartyl tetrapeptide Ala-Phe-Asp-GlyOH at pH 10-A CE study | Electrophoresis |
23010844 | 20121101 | Simultaneous enantiomeric determination of MDMA and its phase I and phase II metabolites in urine by liquid chromatography-tandem mass spectrometry with chiral derivatization | Analytical and bioanalytical chemistry |
21519221 | 20120701 | A simple dose regimen of artesunate and amodiaquine based on age or body weight range for uncomplicated falciparum malaria in children: comparison of therapeutic efficacy with standard dose regimen of artesunate and amodiaquine and artemether-lumefantrine | American journal of therapeutics |
22446498 | 20120615 | A liquid chromatography-tandem mass spectrometry assay for detection and quantitation of the dipeptide Gly-Gln in rat brain | Analytical biochemistry |
22611360 | 20120301 | Identification and characterization of an anti-fibrotic benzopyran compound isolated from mangrove-derived Streptomyces xiamenensis | Marine drugs |
Complexity: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.05569756 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.05569756 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 147 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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