Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67936
Common Name:	ST50825558
Systematic Name:	4-aminobenzamidine;dihydrochloride
Synonyms:	4-aminobenzenecarboxamidine, chloride, chloride; 4-Aminobenzamidine dihydrochloride; p-Aminobenzamidine dihydrochloride; 4-Aminobenzenecarboximidamide dihydrochloride [PubChem Synonyms]
Exact Mass:	207.0330 (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:	C7H11Cl2N3
InChIKey:	GHEHNICLPWTXJC-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Aniline and substituted anilines [C0000284]
ClassyFire direct parent:	Aniline and substituted anilines [C0000284]
SMILES:	c1cc(ccc1C(=N)N)N.Cl.Cl
Studies:	Available studies(via PubChem CID)

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PubChem CID:	75626
KEGG ID:	C11628

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