CHEBI:74889 - 1-dodecylguanidine acetate

ChEBI IDCHEBI:74889
ChEBI Name1-dodecylguanidine acetate
Stars
DefinitionAn acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries.
Last Modified10 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H29N3.C2H4O2
Net Charge0
Average Mass287.448
Monoisotopic Mass287.25728
SMILESCC(=O)O.CCCCCCCCCCCCNC(=N)N
InChIInChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
InChIKeyYIKWKLYQRFRGPM-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
1-dodecylguanidine acetate (CHEBI:74889) has part 1-dodecylguanidine(1+) (CHEBI:74887)
1-dodecylguanidine acetate (CHEBI:74889) has role antibacterial agent (CHEBI:33282)
1-dodecylguanidine acetate (CHEBI:74889) has role antifungal agrochemical (CHEBI:86328)
1-dodecylguanidine acetate (CHEBI:74889) is a acetate salt (CHEBI:59230)
1-dodecylguanidine acetate (CHEBI:74889) is a aliphatic nitrogen antifungal agent (CHEBI:86417)
IUPAC Name 
1-dodecylguanidine acetate
Synonyms  Source
1-dodecylguanidinium acetateChemIDplus
aceto de N-dodecilguanidinaChEBI
amino(dodecylamino)methaniminium acetateIUPAC
(dodecylamino)(imino)methanaminium acetateIUPAC
dodecylguanidine acetateChemIDplus
dodecylguanidine monoacetateChemIDplus
Manual XrefsDatabases
263PPDB
C18723KEGG COMPOUND
dodineAlan Wood's Pesticides
US2867562Patent
US2921881Patent
Registry NumbersSources
Reaxys:6546960Reaxys
CAS:2439-10-3ChemIDplus
CAS:2439-10-3NIST Chemistry WebBook
CAS:2439-10-3KEGG COMPOUND
Citations