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132679-61-9 | Butanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-3-methyl-, (2S)-
CAS No: 132679-61-9 Catalog No: AG0010YX MDL No:MFCD00155636
Product Description
Catalog Number:
AG0010YX
Chemical Name:
Butanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-3-methyl-, (2S)-
CAS Number:
132679-61-9
Molecular Formula:
C11H13FN4O5
Molecular Weight:
300.2431
MDL Number:
MFCD00155636
IUPAC Name:
(2S)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide
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
SMILES:
CC([C@@H](C(=O)N)Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.246g/mol
Monoisotopic Mass:
300.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| HPLC determination of acidic D-amino acids and their N-methyl derivatives in biological tissues. | Biomedical chromatography : BMC 20090601 |
| 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 20070301 |
| 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 20030425 |
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