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  2. 16676-75-8
Names and Identifiers
  • (R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl nicotinate
  • ALPHA-TOCOPHERYL NICOTINATE
  • VITAMIN E NICOTINATE
  • tocopherylnicotinate,vitaminenicotinate
  • (+/-)-2,5,7,8-Tetramethyl-2-(4,8,12 (-trimethyltridecyl)chromanol nicotinate
  • (+/-)-alpha-Tocopherol nicotinate
  • DL-alpha-Tocopheryl Nicotinate
  • VITAMIN E NICOTINATE,BP USP EP
  • [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
  • [2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)CHROMAN-6-YL] PYRIDINE-3-CARBOXYLATE
  • nicotin [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] ester
  • 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester
  • Vitamin E nicotinate
  • InChIKey:MSCCTZZBYHQMQJ-UHFFFAOYSA-N
  • Inchi:InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3
  • SMILES:C(OC1=C(C)C(C)=C2C(CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2)=C1C)(=O)C1C=CC=NC=1
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 535.40300
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 15
  • Monoisotopic Mass: 535.403
  • Heavy Atom Count: 39
  • Complexity: 725
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Topological Polar Surface Area: 48.4A^2

Experimental Properties

  • LogP: 9.74880
  • PSA: 48.42000
  • Refractive Index: 1.514
  • Boiling Point: 649ºC at 760 mmHg
  • Flash Point: 346.3ºC
  • Density: 0.99 g/cm3
Security Information
  • WGK Germany:3
  • Storage Condition:2-8ºC
Related Products
Price Data Available
Brand:a2bchem Supplier:A2B Chem LLC
No. Purity Stock Specification Price update time operate
AY86064-25g 1 week 25g $627.00/ ¥4,554.03 03 Jan. 2024
AY86064-10g 1 week 10g $403.00/ ¥2,927.07 03 Jan. 2024
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