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CHEBI:53758 - PAP

ChEBI IDCHEBI:53758
ChEBI NamePAP
Stars
DefinitionA glycol that is a derivative of glycerol in which one of the hydroxy groups is replaced by an anilino group.
Last Modified6 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H13NO2
Net Charge0
Average Mass167.208
Monoisotopic Mass167.09463
SMILESOCC(O)CNc1ccccc1
InChIInChI=1S/C9H13NO2/c11-7-9(12)6-10-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChIKeyINHHFZUVCCBNTO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
PAP (CHEBI:53758) has functional parent aniline (CHEBI:17296)
PAP (CHEBI:53758) has functional parent glycerol (CHEBI:17754)
PAP (CHEBI:53758) is a glycol (CHEBI:13643)
PAP (CHEBI:53758) is a secondary amine (CHEBI:32863)
Incoming Relation(s)
1-linolenyl-2-linoleyl-PAP (CHEBI:53755) has functional parent PAP (CHEBI:53758)
1-oleoyl-2-linolenoyl-PAP (CHEBI:53754) has functional parent PAP (CHEBI:53758)
1-oleyl-2-linoleyl-PAP (CHEBI:53752) has functional parent PAP (CHEBI:53758)
IUPAC Name 
3-(phenylamino)propane-1,2-diol
Synonyms  Source
3-Phenylamino-1,2-propanediolChemIDplus
3-anilinopropylene glycolChEBI
Registry NumbersSources
Reaxys:1103035Reaxys
CAS:5840-15-3ChemIDplus