chempirical

O-(2,4-Dinitrophenyl)hydroxylamine

C6H5N3O5CAS 17508-17-7199.12 g/mol

Open in Covalent MOL file
H2NON+OO−N+OO−
NitroPrimary amine

Properties

Molecular formula
C6H5N3O5
Molar mass
199.12 g/mol
Exact mass
199.0229 Da
Melting point
111 °C
logP
0.76Crippen estimate
Polar surface area
121.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3

Identifiers

CAS number
17508-17-7
SMILES
NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
YLACRFYIUQZNIV-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O5/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,7H2

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Names and synonyms

6 names
  • Hydroxylamine, O-(2,4-dinitrophenyl)-
  • DNPA
  • 2,4-Dinitrophenoxyamine
  • 2,4-Nitrophenoxyamine
  • 1-Aminooxy-2,4-dinitrobenzene
  • NSC 148499

Work with O-(2,4-Dinitrophenyl)hydroxylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dinitroanisole119-27-768 % similar Bis(2,4-dinitrophenyl) oxalate16536-30-466 % similar 2,4-Dinitroaniline97-02-959 % similar 2,4-Dinitrotoluene121-14-254 % similar 2,4-Dinitrophenol51-28-554 % similar 1-Bromo-2,4-dinitrobenzene584-48-554 % similar 1-Fluoro-2,4-dinitrobenzene70-34-854 % similar 2,4-Dinitroiodobenzene709-49-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Picramic acid96-91-3

Elsewhere

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