Cas no 51605-68-6 (3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester (9CI))

3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester (9CI) structure
51605-68-6 structure
Product Name:3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester (9CI)
CAS No:51605-68-6
MF:C41H56N2O5
MW:656.893752098084
CID:377039
PubChem ID:171058
Update Time:2025-04-19

3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester (9CI)
    • 3-Pyridinecarboxylic acid, 3,4-dihydro-2,7,8-trimethyl-5-(((3-pyridinylcarbonyl)oxy)methyl)-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
    • [2,7,8-trimethyl-6-(pyridine-3-carbonyloxy)-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methyl pyridine-3-carboxylate
    • 3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-b
    • 5-nicotinooxymethyl-alpha-tocopherylnicotinate
    • 51605-68-6
    • 5-NNT
    • 2,7,8-Trimethyl-5-{[(pyridine-3-carbonyl)oxy]methyl}-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl pyridine-3-carboxylate
    • DTXSID60965929
    • Inchi： 1S/C41H56N2O5/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-21-41(7)22-20-35-36(27-46-39(44)33-18-11-23-42-25-33)37(31(5)32(6)38(35)48-41)47-40(45)34-19-12-24-43-26-34/h11-12,18-19,23-26,28-30H,8-10,13-17,20-22,27H2,1-7H3
    • InChI Key： DQOYCYHUBHLMSJ-UHFFFAOYSA-N
    • SMILES： O1C2C(C)=C(C)C(=C(COC(C3C=NC=CC=3)=O)C=2CCC1(C)CCCC(C)CCCC(C)CCCC(C)C)OC(C1C=NC=CC=1)=O

Computed Properties

  • Exact Mass: 656.41918
  • Monoisotopic Mass: 656.41892289g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 19
  • Complexity: 975
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 11.3
  • Topological Polar Surface Area: 87.6?2

Experimental Properties

  • PSA: 87.61

3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester (9CI) Related Literature

Related Categories

51605-68-6 (3-Pyridinecarboxylicacid,3,4-dihydro-2,7,8-trimethyl-5-[[(3-pyridinylcarbonyl)oxy]methyl]-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester (9CI)) Related Products

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