4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholine (CHEBI:55483)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholine

ChEBI ID	CHEBI:55483

Definition	A C-nitro compound that is a bismorpholine consisting of two morpholinomethyl groups bonded to C-1 of 1-nitropropane.

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

Supplier Information

Download	Molfile XML SDF

Formula

C13H25N3O4

Net Charge

Average Mass

287.35530

Monoisotopic Mass

287.18451

InChI

InChI=1S/C13H25N3O4/c1-2-13(16(17)18,11-14-3-7-19-8-4-14)12-15-5-9-20-10-6-15/h2-12H2,1H3

InChIKey

XPGDDCOXMUFUCB-UHFFFAOYSA-N

SMILES

CCC(CN1CCOCC1)(CN1CCOCC1)[N+]([O-])=O

Roles Classification
Biological Role(s):	allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology
Outgoing	4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholine (CHEBI:55483) has role allergen (CHEBI:50904) 4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholine (CHEBI:55483) is a C-nitro compound (CHEBI:35716) 4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholine (CHEBI:55483) is a morpholines (CHEBI:38785)

IUPAC Name

4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine

Synonyms	Sources
4,4'-(2-Ethyl-2-nitrotrimethylene)dimorpholine	ChemIDplus
4,4'-(ethyl-2-nitro-1,3-propanediyl)-bis morpholine	ChEBI
4,4'-(ethyl-2-nitro-1,3-propanediyl)bismorpholine	ChemIDplus
4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholine	ChEBI

Citation	Type	Source
8930473	PubMed citation	Europe PMC

Last Modified

12 March 2019