Cas no 294211-86-2 ([2,2':6',2''-Terpyridine]-4'-carboxylicacid, 5,5''-dimethyl-, ethyl ester (9CI))

[2,2':6',2''-Terpyridine]-4'-carboxylicacid, 5,5''-dimethyl-, ethyl ester (9CI) structure
294211-86-2 structure
Product Name:[2,2':6',2''-Terpyridine]-4'-carboxylicacid, 5,5''-dimethyl-, ethyl ester (9CI)
CAS No:294211-86-2
MF:C20H19N3O2
MW:333.383764505386
CID:239595
PubChem ID:2762751
Update Time:2025-04-19

[2,2':6',2''-Terpyridine]-4'-carboxylicacid, 5,5''-dimethyl-, ethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • [2,2':6',2''-Terpyridine]-4'-carboxylicacid, 5,5''-dimethyl-, ethyl ester (9CI)
    • 5,5''-DIMETHYL-[2,2':6',2''-TERPYRIDINE]-4'-CARBOXYLIC ACID ETHYL ESTER
    • ethyl 2,6-bis(5-methylpyridin-2-yl)pyridine-4-carboxylate
    • 5,5''-dimethyl-2,2':6',2''-terpyridine-4'-carboxylic acid ethyl ester
    • Ethyl 5,5''-dimethyl-2,2':6',2''-terpyridine-4'-carboxylate
    • Ethyl 5,5''-dimethyl-[2,2':6',2''-terpyridine]-4'-carboxylate
    • 5,5-DIMETHYL-[2,2:6,2-TERPYRIDINE]-4-CARBOXYLICACIDETHYLESTER
    • FT-0619778
    • Ethyl5,5''-dimethyl-[2,2':6',2''-terpyridine]-4'-carboxylate
    • DTXSID10376420
    • Ethyl 1~5~,3~5~-dimethyl[1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carboxylate
    • ethyl 2, 6-bis(5-methylpyridin-2-yl)pyridine-4-carboxylate
    • Ethyl 5,5''-dimethyl-2,2';6',2''terpyridine-4'-carboxylate
    • 294211-86-2
    • J-400956
    • Inchi： 1S/C20H19N3O2/c1-4-25-20(24)15-9-18(16-7-5-13(2)11-21-16)23-19(10-15)17-8-6-14(3)12-22-17/h5-12H,4H2,1-3H3
    • InChI Key： FDKHMAXGODZZTK-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=C(C2C=CC(C)=CN=2)N=C(C2C=CC(C)=CN=2)C=1)=O

Computed Properties

  • Exact Mass: 333.14800
  • Monoisotopic Mass: 333.148
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 415
  • 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
  • XLogP3: 3.1
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • Density: 1.163
  • Boiling Point: 513.9°C at 760 mmHg
  • Flash Point: 264.6°C
  • Refractive Index: 1.582
  • PSA: 64.97000
  • LogP: 3.99910

[2,2':6',2''-Terpyridine]-4'-carboxylicacid, 5,5''-dimethyl-, ethyl ester (9CI) Related Literature

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