Nα-[2,4-Dinitro-5-fluorophenyl]-L-valine amide - CAS 132679-61-9
Catalog: |
BB007612 |
Product Name: |
Nα-[2,4-Dinitro-5-fluorophenyl]-L-valine amide |
CAS: |
132679-61-9 |
Synonyms: |
FDNP-L-Val-NH2; (S)-2-((5-Fluoro-2,4-dinitrophenyl)amino)-3-methylbutanamide |
IUPAC Name: | (2S)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide |
Description: | A derivatizing chiral agent that can be used for detection of underivatized amino acids in HPLC. |
Molecular Weight: | 300.30 |
Molecular Formula: | C11H13N4O5F |
Canonical SMILES: | CC(C)C(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F |
InChI: | InChI=1S/C11H13FN4O5/c1-5(2)10(11(13)17)14-7-3-6(12)8(15(18)19)4-9(7)16(20)21/h3-5,10,14H,1-2H3,(H2,13,17)/t10-/m0/s1 |
InChI Key: | ZTFFRKNPAXXEBL-JTQLQIEISA-N |
Boiling Point: | 537.5 ℃ at 760 mmHg |
Purity: | ≥ 99 % (HPLC) |
Density: | 1.469 g/cm3 |
Appearance: | Yellow powder |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD00155636 |
LogP: | 3.38360 |
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 |
Publication Number | Title | Priority Date |
EP-3599246-A1 | Means and methods for synthesizing precursors of y-aminobutyric acid (gaba) analogs | 20180725 |
US-2019137447-A1 | Methods for detection of sample enantiomers using differential mobility spectrometry | 20160415 |
US-2018346526-A1 | New peptides having antimicrobial activity and new enzyme capable of converting l-configured residue in d-configured amino acid in a peptide | 20151202 |
US-10981957-B2 | Peptides having antimicrobial activity and new enzyme capable of converting L-configured residue in D-configured amino acid in a peptide | 20151202 |
EP-2792683-A1 | Compounds potentiating the activity of antifungal drugs | 20130417 |
PMID | Publication Date | Title | Journal |
19277955 | 20090601 | HPLC determination of acidic D-amino acids and their N-methyl derivatives in biological tissues | Biomedical chromatography : BMC |
17085085 | 20070301 | Analysis of hydroxyproline isomers and hydroxylysine by reversed-phase HPLC and mass spectrometry | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
12779218 | 20030425 | Liquid chromatography-electrospray ionisation-mass spectrometry based method for the simultaneous determination of algal and cyanobacterial toxins in phytoplankton from marine waters and lakes followed by tentative structural elucidation of microcystins | Journal of chromatography. A |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.08699769 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.08699769 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 147 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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