Cas no 14910-31-7 (Quinolinium,6,6'-(carbonyldiimino)bis[1-methyl- (9CI))

Quinolinium,6,6'-(carbonyldiimino)bis[1-methyl- (9CI) structure
14910-31-7 structure
Product Name:Quinolinium,6,6'-(carbonyldiimino)bis[1-methyl- (9CI)
CAS No:14910-31-7
MF:C21H20N4O
MW:344.409704208374
CID:202130
PubChem ID:8662
Update Time:2025-04-19

Quinolinium,6,6'-(carbonyldiimino)bis[1-methyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 6,6'-(Carbonylbisimino)bis(1-methylquinolinium)
    • Quinuronium
    • QUINURONIUM ION
    • 324LL33THV
    • BRN 3710776
    • Q27256137
    • Quinolinium, 6,6'-(carbonyldiimino)bis(1-methyl-
    • N,N'-DIMETHYL-1,3-DI-6-QUINOLYLUREA
    • 6,6'-(Carbonyldiimino)bis(1-methylquinolinium)
    • DTXSID00164176
    • 14910-31-7
    • QUINURONIUM CATION
    • 6,6/'-(Carbonylbisimino)bis(1-methylquinolinium)
    • UNII-324LL33THV
    • 1,3-bis(1-methylquinolin-1-ium-6-yl)urea
    • Quinolinium, 6,6'-ureylenebis(1-methyl-
    • Quinolinium,6,6'-(carbonyldiimino)bis[1-methyl- (9CI)
    • Inchi： 1S/C21H19N4O/c1-24-11-3-5-15-13-17(7-9-19(15)24)22-21(26)23-18-8-10-20-16(14-18)6-4-12-25(20)2/h3-14H,1-2H3,(H-,22,23,26)/q+1/p+1
    • InChI Key： XNGCPUFXJFAGRG-UHFFFAOYSA-O
    • SMILES： O=C(NC1C=CC2C(=CC=C[N+]=2C)C=1)NC1C=CC2C(=CC=C[N+]=2C)C=1

Computed Properties

  • Exact Mass: 344.1639
  • Monoisotopic Mass: 344.164
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 456
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 48.9A^2
  • XLogP3: 3.3

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 48.89

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