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CHEBI:91275 - N-butyl-N-(4-hydroxybutyl)nitrosamine

ChEBI IDCHEBI:91275
ChEBI NameN-butyl-N-(4-hydroxybutyl)nitrosamine
Stars
ASCII NameN-butyl-N-(4-hydroxybutyl)nitrosamine
DefinitionA nitrosamine that has butyl and 4-hydroxybutyl substituents. In mice, it causes high-grade, invasive cancers in the urinary bladder, but not in any other tissues.
Last Modified22 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H18N2O2
Net Charge0
Average Mass174.244
Monoisotopic Mass174.13683
SMILESCCCCN(CCCCO)N=O
InChIInChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
InChIKeyDIKPQFXYECAYPC-UHFFFAOYSA-N
Roles Classification
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
N-butyl-N-(4-hydroxybutyl)nitrosamine (CHEBI:91275) has role carcinogenic agent (CHEBI:50903)
N-butyl-N-(4-hydroxybutyl)nitrosamine (CHEBI:91275) is a nitrosamine (CHEBI:35803)
N-butyl-N-(4-hydroxybutyl)nitrosamine (CHEBI:91275) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
N-butyl-N-(3-carboxypropyl)nitrosamine (CHEBI:91112) has functional parent N-butyl-N-(4-hydroxybutyl)nitrosamine (CHEBI:91275)
IUPAC Name 
N-butyl-N-(4-hydroxybutyl)nitrous amide
Synonyms  Source
butylhydroxybutylnitrosamineChemIDplus
4-(butylnitrosamino)-1-butanolChemIDplus
N-nitrosobutylbutanolamineChemIDplus
N-nitroso-N-butyl-(4-hydroxybutyl)amineChemIDplus
butylbutanolnitrosamineNIST Chemistry WebBook
butyl(4-hydroxybutyl)nitrosamineNIST Chemistry WebBook
Registry NumbersSources
Reaxys:2080574Reaxys
CAS:3817-11-6ChemIDplus
CAS:3817-11-6NIST Chemistry WebBook
Citations