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

ChEBI IDCHEBI:50154
ChEBI Name1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane
Stars
DefinitionA 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.
Last Modified29 July 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H13N5O2
Net Charge0
Average Mass163.181
Monoisotopic Mass163.10692
SMILESNCCN(CCN)N(O)N=O
InChIInChI=1S/C4H13N5O2/c5-1-3-8(4-2-6)9(11)7-10/h11H,1-6H2
InChIKeyHMRRJTFDJAVRMR-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
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 (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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  Source
2,2'-(hydroxynitrosohydrazino)bis-ethanamineChemIDplus
DETA NONOateChemIDplus
NOC-18ChemIDplus
diethylenetriamine NONOateChEBI
Registry NumbersSources
Reaxys:8139626Reaxys
CAS:146724-94-9ChemIDplus
Citations