Cas no 357407-86-4 (N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine)

N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine structure
357407-86-4 structure
Product Name:N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine
CAS No:357407-86-4
MF:C9H13N
MW:148.286324262619
CID:920646
Update Time:2023-08-02

N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine Chemical and Physical Properties

Names and Identifiers

    • (R)-(+)-N-METHYL-1-PHENYLETHYLAMINE-D13
    • N,1,2,2,2-pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine
    • M1771
    • N-(~2~H_3_)Methyl-1-(~2~H_5_)phenyl(~2~H_4_)ethan-1-(~2~H)amine
    • N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine
    • Inchi: 1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D/hD
    • InChI Key: RCSSHZGQHHEHPZ-RAKNGISTSA-N
    • SMILES: N([2H])(C([2H])([2H])[2H])C([2H])(C([2H])([2H])[2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Isotope Atom Count: 13
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 84.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.7
  • Topological Polar Surface Area: 12

Experimental Properties

  • Color/Form: Not determined
  • Refractive Index: 67 ° (C=2, CHCl3)
  • Solubility: Not determined

N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine Security Information

  • Hazardous Material transportation number:UN 2735 8/PG II
  • HazardClass:8
  • PackingGroup:II
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