EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16652 - 1,4-diguanidinobutane

ChEBI IDCHEBI:16652
ChEBI Name1,4-diguanidinobutane
Stars
DefinitionA guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions.
Secondary ChEBI IDsCHEBI:537, CHEBI:11172, CHEBI:18931
Last Modified25 February 2016
DownloadsMolfile
FormulaC6H16N6
Net Charge0
Average Mass172.236
Monoisotopic Mass172.14364
SMILESN=C(N)NCCCCNC(=N)N
InChIInChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKeyHGMDNMBBCKDWTQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,4-diguanidinobutane (CHEBI:16652) has parent hydride butane (CHEBI:37808)
1,4-diguanidinobutane (CHEBI:16652) is a guanidines (CHEBI:24436)
1,4-diguanidinobutane (CHEBI:16652) is conjugate base of 1,4-diguanidiniumylbutane (CHEBI:57848)
Incoming Relation(s)
1,4-diguanidiniumylbutane (CHEBI:57848) is conjugate acid of 1,4-diguanidinobutane (CHEBI:16652)
IUPAC Name 
1,1'-(butane-1,4-diyl)diguanidine
Synonyms  Source
1,4-DiguanidinobutaneKEGG COMPOUND
ArcaineChemIDplus
N,N'''-1,4-ButanediylbisguanidineChemIDplus
TetramethylenediguanideChemIDplus
Manual XrefsDatabases
C03047KEGG COMPOUND
LSM-6692LINCS
Registry NumbersSources
CAS:544-05-8ChemIDplus