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

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ChEBI Name	N-butyl-N-(4-hydroxybutyl)nitrosamine

ChEBI ID	CHEBI:91275

ChEBI ASCII Name	N-butyl-N-(4-hydroxybutyl)nitrosamine

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C8H18N2O2

Net Charge

Average Mass

174.241

Monoisotopic Mass

174.13683

InChI

InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3

InChIKey

DIKPQFXYECAYPC-UHFFFAOYSA-N

SMILES

C(O)CCCN(CCCC)N=O

Roles Classification
Biological Role(s):	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	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	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	Sources
4-(butylnitrosamino)-1-butanol	ChemIDplus
4-(butylnitrosoamino)butanol	ChemIDplus
4-hydroxybutylbutylnitrosamine	ChemIDplus
BBN	NIST Chemistry WebBook
butyl(4-hydroxybutyl)nitrosamine	NIST Chemistry WebBook
butylbutanolnitrosamine	NIST Chemistry WebBook
butylhydroxybutylnitrosamine	ChemIDplus
N-butyl-(4-hydroxybutyl)nitrosamine	ChemIDplus
N-nitroso-N-butyl-(4-hydroxybutyl)amine	ChemIDplus
N-nitroso-N-butyl-N-(4-carboxypropyl)amine	ChemIDplus
N-nitrosobutylbutanolamine	ChemIDplus

Last Modified

22 February 2016