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CHEBI:63595 - 5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid

ChEBI IDCHEBI:63595
ChEBI Name5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid
Stars
ASCII Name5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid
DefinitionA tertiary amino compound in which nitrogen is substituted by a methyl group, a 5-carboxypentyl group and a 4-[2-(4-cyanophenyl)vinyl]phenyl group.
Last Modified16 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H22N2O2
Net Charge0
Average Mass334.419
Monoisotopic Mass334.16813
SMILESCN(CCCCC(=O)O)c1ccc(/C=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H22N2O2/c1-23(15-3-2-4-21(24)25)20-13-11-18(12-14-20)6-5-17-7-9-19(16-22)10-8-17/h5-14H,2-4,15H2,1H3,(H,24,25)/b6-5+
InChIKeyZJVNDTIARCDQHR-AATRIKPKSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid (CHEBI:63595) is a monocarboxylic acid (CHEBI:25384)
5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid (CHEBI:63595) is a nitrile (CHEBI:18379)
5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid (CHEBI:63595) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
5-[{4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl}(methyl)amino]pentanoic acid
Registry NumbersSources
Reaxys:10700840Reaxys
Citations