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

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ChEBI Name	N-nitrobis(2-hydroxypropyl)amine

ChEBI ID	CHEBI:140063

ChEBI ASCII Name	N-nitrobis(2-hydroxypropyl)amine

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H14N2O4

Net Charge

Average Mass

178.187

Monoisotopic Mass

178.09536

InChI

InChI=1S/C6H14N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3

InChIKey

VDXFGTOIPOGIJD-UHFFFAOYSA-N

SMILES

N([N+]([O-])=O)(CC(C)O)CC(C)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-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
BHP	ChEBI

Last Modified

08 February 2018