Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52692
Common Name:	2,4-dinitrophenylhydrazine
Systematic Name:	(2,4-dinitrophenyl)hydrazine
RefMet Name:	2,4-Dinitrophenylhydrazine
Synonyms:	1-Hydrazino-2,4-dinitrobenzene; 2,4-DNP hydrazine; 2,4-Dnph; Brady's reagent [PubChem Synonyms]
Exact Mass:	198.0389 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C6H6N4O4
InChIKey:	HORQAOAYAYGIBM-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Nitrobenzenes [C0000036]
ClassyFire direct parent:	Nitrobenzenes [C0000036]
MoNA MS spectra:	View MS spectra
SMILES:	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3772977
CHEBI ID:	66932
HMDB ID:	HMDB0245463
MetaCyc ID:	DINITROPHENYLHYDRAZINE
Plant Metabolite Hub(Pmhub):	MS000022208

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y