CHEBI:53758 - PAP

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ChEBI Name PAP
ChEBI ID CHEBI:53758
Definition A glycol that is a derivative of glycerol in which one of the hydroxy groups is replaced by an anilino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H13NO2
Net Charge 0
Average Mass 167.20500
Monoisotopic Mass 167.09463
InChI InChI=1S/C9H13NO2/c11-7-9(12)6-10-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChIKey INHHFZUVCCBNTO-UHFFFAOYSA-N
SMILES OCC(O)CNc1ccccc1
Roles Classification
Chemical Role(s): 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 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 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 Sources
3-anilinopropylene glycol ChEBI
3-Phenylamino-1,2-propanediol ChemIDplus
Registry Numbers Types Sources
1103035 Reaxys Registry Number Reaxys
1103035 Beilstein Registry Number Beilstein
5840-15-3 CAS Registry Number ChemIDplus
Last Modified
06 August 2014