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CHEBI:82033 - propamocarb

Default Structure
ChEBI IDCHEBI:82033
ChEBI Namepropamocarb
Stars
DefinitionA carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species.
Last Modified22 July 2015
DownloadsMolfile
FormulaC9H20N2O2
Net Charge0
Average Mass188.271
Monoisotopic Mass188.15248
SMILESCCCOC(=O)NCCCN(C)C
InChIInChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
InChIKeyWZZLDXDUQPOXNW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
propamocarb (CHEBI:82033) has functional parent propan-1-ol (CHEBI:28831)
propamocarb (CHEBI:82033) has role antifungal agrochemical (CHEBI:86328)
propamocarb (CHEBI:82033) has role environmental contaminant (CHEBI:78298)
propamocarb (CHEBI:82033) has role xenobiotic (CHEBI:35703)
propamocarb (CHEBI:82033) is a carbamate ester (CHEBI:23003)
propamocarb (CHEBI:82033) is a carbamate fungicide (CHEBI:87061)
propamocarb (CHEBI:82033) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
propyl [3-(dimethylamino)propyl]carbamate
Synonyms  Source
propamocarbeChemIDplus
propyl 3-(dimethylamino)propylcarbamateAlan Wood's Pesticides
Propyl (3-(dimethylamino)propyl)carbamateChemIDplus
propyl N-[3-(dimethylamino)propyl]carbamateAlan Wood's Pesticides
Manual XrefsDatabases
1546PPDB
BE708057Patent
C18885KEGG COMPOUND
EP1254894Patent
propamocarbAlan Wood's Pesticides
PropamocarbWikipedia
US3649674Patent
Registry NumbersSources
Reaxys:2080745Reaxys
CAS:24579-73-5ChemIDplus
CAS:24579-73-5NIST Chemistry WebBook
CAS:24579-73-5KEGG COMPOUND
Citations