CHEBI:50154 - 1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane

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ChEBI Name 1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane
ChEBI ID CHEBI:50154
Definition A nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two 2-aminoethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:715678, ZINC000003870869
Download Molfile XML SDF
Formula C4H13N5O2
Net Charge 0
Average Mass 163.17852
Monoisotopic Mass 163.10692
InChI InChI=1S/C4H13N5O2/c5-1-3-8(4-2-6)9(11)7-10/h11H,1-6H2
InChIKey HMRRJTFDJAVRMR-UHFFFAOYSA-N
SMILES NCCN(CCN)N(O)N=O
Roles Classification
Chemical Role(s): nitric oxide donor
An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane (CHEBI:50154) has parent hydride triazane (CHEBI:50155)
1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane (CHEBI:50154) has role nitric oxide donor (CHEBI:50566)
1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane (CHEBI:50154) is a nitroso compound (CHEBI:35800)
1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane (CHEBI:50154) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane
Synonyms Sources
2,2'-(hydroxynitrosohydrazino)bis-ethanamine ChemIDplus
DETA NONOate ChemIDplus
diethylenetriamine NONOate ChEBI
NOC-18 ChemIDplus
Registry Numbers Types Sources
146724-94-9 CAS Registry Number ChemIDplus
8139626 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
29 July 2011