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CHEBI:140063 - N-nitrobis(2-hydroxypropyl)amine

ChEBI IDCHEBI:140063
ChEBI NameN-nitrobis(2-hydroxypropyl)amine
Stars
ASCII NameN-nitrobis(2-hydroxypropyl)amine
DefinitionA nitramine that is N,N-bis(2-hydroxypropyl)nitrosamine in which the nitroso group has undergone formal oxidation to the corresponding nitro group. A potent pancreatic carcinogen.
Last Modified8 February 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC6H14N2O4
Net Charge0
Average Mass178.188
Monoisotopic Mass178.09536
SMILESCC(O)CN(CC(C)O)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKeyVDXFGTOIPOGIJD-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-nitrobis(2-hydroxypropyl)amine (CHEBI:140063) has functional parent N,N-bis(2-hydroxypropyl)nitrosamine (CHEBI:131518)
N-nitrobis(2-hydroxypropyl)amine (CHEBI:140063) has role carcinogenic agent (CHEBI:50903)
N-nitrobis(2-hydroxypropyl)amine (CHEBI:140063) is a diol (CHEBI:23824)
N-nitrobis(2-hydroxypropyl)amine (CHEBI:140063) is a nitramine (CHEBI:25543)
N-nitrobis(2-hydroxypropyl)amine (CHEBI:140063) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1,1'-(nitroimino)dipropan-2-ol
Synonym  Source
BHPChEBI
Citations