1-dodecylguanidine (CHEBI:74880)

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CHEBI:74880 - 1-dodecylguanidine

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ChEBI ID	CHEBI:74880
ChEBI Name	1-dodecylguanidine
Stars
Definition	A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide.
Last Modified	10 July 2015
Submitter	Gareth Owen
Downloads	Molfile

Formula	C13H29N3
Net Charge	0
Average Mass	227.396
Monoisotopic Mass	227.23615
SMILES	CCCCCCCCCCCCNC(=N)N
InChI	InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
InChIKey	HILAYQUKKYWPJW-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 (CHEBI:74880) has part dodecyl group (CHEBI:23870)
	1-dodecylguanidine (CHEBI:74880) has part guanidino group (CHEBI:48551)
	1-dodecylguanidine (CHEBI:74880) has role antibacterial agent (CHEBI:33282)
	1-dodecylguanidine (CHEBI:74880) has role antifungal agrochemical (CHEBI:86328)
	1-dodecylguanidine (CHEBI:74880) is a aliphatic nitrogen antifungal agent (CHEBI:86417)
	1-dodecylguanidine (CHEBI:74880) is a guanidines (CHEBI:24436)
	1-dodecylguanidine (CHEBI:74880) is conjugate base of 1-dodecylguanidine(1+) (CHEBI:74887)
Incoming Relation(s)
Incoming Relation(s)	1-dodecylguanidine(1+) (CHEBI:74887) is conjugate acid of 1-dodecylguanidine (CHEBI:74880)

IUPAC Name
1-dodecylguanidine

Synonyms	Source
dodecylguanidine	ChemIDplus
n-dodecylguanidine	ChEBI
C12-G	ChEBI
laurylguanidine	ChEBI
1-laurylguanidine	ChEBI

Registry Numbers	Sources
Reaxys:637515	Reaxys
CAS:112-65-2	ChemIDplus

Citations