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Home> Encyclopedia > Hot Product Listed 2   > 2,5-Pyrrolidinedione,1-[[(1,2-dihydro-3-quinolinyl)amino]methyl]-
125974-72-3 structure

2,5-Pyrrolidinedione,1-[[(1,2-dihydro-3-quinolinyl)amino]methyl]-

CAS No.:125974-72-3
Molecular Weight:348.45
Molecular Formula:C5H3O5S- (isomer)
Names and Identifiers
Synonyms

Succinimide, N-(1,2-dihydro-3-quinolylaminomethyl)-

Inchi
InChI=1S/C21H24N4O/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23)
InChkey
QROONAIPJKQFMC-UHFFFAOYSA-N
Canonical Smiles
CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C
Properties
Boiling Point
509.6°Cat760mmHg
Vapour
9.55E-17mmHg at 25°C
Refractive Index
1.755
Computational chemical data
  • Molecular Weight:348.45g/mol
  • Molecular Formula:C5H3O5S-
  • Compound Is Canonicalized:True
  • Exact Mass:348.195
  • Monoisotopic Mass:348.195
  • Complexity:473
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:64.2A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFjB/gAAHgAQCAAADAzBngQ/9vPJkgCg AzZnZACCgCkxIiAJ2aA+bJiIJuLC2dOEdAhs0BPI2CeQwPAOqAADQAASAABQAAaAACQAAAAAAAAA AA==
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