2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate (CHEBI:183743)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate

ChEBI ID	CHEBI:183743

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C5H12N4O2

Net Charge

Average Mass

160.177

Monoisotopic Mass

160.09603

InChI

InChI=1S/C5H12N4O2/c1-2-3-4-7-5(6)8-9(10)11/h2-4H2,1H3,(H3,6,7,8)

InChIKey

KPQHRDFCWBWTBA-UHFFFAOYSA-N

SMILES

[O-][N+](=O)N\C(=N\CCCC)\N

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

Roles Classification
Chemical Role(s):	explosive A substance capable of undergoing rapid and highly exothermic decomposition. (via nitroguanidine )

ChEBI Ontology
Outgoing	2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate (CHEBI:183743) is a nitroguanidine (CHEBI:39179)

IUPAC Name

2-butyl-1-nitroguanidine

Registry Number	Type	Source
5458-83-3	CAS Registry Number	ChemIDplus