Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	60920
Common Name:	4-(hydroxylamino)-N,N-dimethylaniline
Systematic Name:	N'-hydroxy-4-N,N-dimethylbenzene-1,4-diamine
RefMet Name:	4-(Hydroxylamino)-N,N-dimethylaniline
Synonyms:	4-(N,N-dimethylamino)phenylhydroxylamine; 4-(hydroxylamino)-N,N-dimethylaniline [PubChem Synonyms]
Exact Mass:	152.0950 (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:	C8H12N2O
InChIKey:	OQCYOHPVXHQWSI-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	N-phenylhydroxylamines [C0004650]
ClassyFire subclass:	N-phenylhydroxylamines [C0004650]
ClassyFire direct parent:	Aromatic homomonocyclic compounds
SMILES:	CN(C)c1ccc(cc1)NO
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

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