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CHEBI:131518 - N,N-bis(2-hydroxypropyl)nitrosamine

ChEBI IDCHEBI:131518
ChEBI NameN,N-bis(2-hydroxypropyl)nitrosamine
Stars
ASCII NameN,N-bis(2-hydroxypropyl)nitrosamine
DefinitionA nitrosamine that is dipropylamine in which the hydrogen attached to the nitrogen has been replaced by a nitroso group. It is a genotoxic carcinogen, targeting the lung, liver, thyroid, and kidney.
Last Modified8 February 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC6H14N2O3
Net Charge0
Average Mass162.189
Monoisotopic Mass162.10044
SMILESCC(O)CN(CC(C)O)N=O
InChIInChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKeyMNIGYIKCFSPQRJ-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,N-bis(2-hydroxypropyl)nitrosamine (CHEBI:131518) has role carcinogenic agent (CHEBI:50903)
N,N-bis(2-hydroxypropyl)nitrosamine (CHEBI:131518) is a diol (CHEBI:23824)
N,N-bis(2-hydroxypropyl)nitrosamine (CHEBI:131518) is a nitrosamine (CHEBI:35803)
N,N-bis(2-hydroxypropyl)nitrosamine (CHEBI:131518) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
N-nitrobis(2-hydroxypropyl)amine (CHEBI:140063) has functional parent N,N-bis(2-hydroxypropyl)nitrosamine (CHEBI:131518)
IUPAC Name 
N,N-bis(2-hydroxypropyl)nitrous amide
Synonyms  Source
2,2'-bishydroxypropylnitrosamineChemIDplus
di(2-hydroxypropyl)nitrosamineChemIDplus
diisopropanolnitrosamineChemIDplus
N-nitrosobis(2-hydroxypropyl)amineChemIDplus
N-bis(2-hydroxypropyl)nitrosamineChemIDplus
DHPNChemIDplus
Registry NumbersSources
Reaxys:2245909Reaxys
CAS:53609-64-6ChemIDplus
Citations