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:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
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
dodecylguanidine monoacetateChemIDplus
n-dodecylguanidinium monoacetateChEBI
n-dodecylguanidine monoacetateChEBI
n-dodecylguanidine acetateChemIDplus
n-dodecylguanidinium acetateChEBI
Manual XrefsDatabases
C18723KEGG COMPOUND
US2867562Patent
US2921881Patent
dodineAlan Wood's Pesticides
263PPDB
Registry NumbersSources
Reaxys:6546960Reaxys
CAS:2439-10-3NIST Chemistry WebBook
CAS:2439-10-3ChemIDplus
CAS:2439-10-3KEGG COMPOUND
Citations