Cas no 1517-55-1 (2-Butene-1,1,1,2,3,4,4,4-d8,(E)- (8CI,9CI))

2-Butene-1,1,1,2,3,4,4,4-d8,(E)- (8CI,9CI) structure
1517-55-1 structure
Product Name:2-Butene-1,1,1,2,3,4,4,4-d8,(E)- (8CI,9CI)
CAS No:1517-55-1
MF:C4H8
MW:64.1556148529053
CID:180712
PubChem ID:3036307
Update Time:2025-04-19

2-Butene-1,1,1,2,3,4,4,4-d8,(E)- (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Butene-1,1,1,2,3,4,4,4-d8,(E)- (8CI,9CI)
    • (E)-1,1,1,2,3,4,4,4-octadeuteriobut-2-ene
    • (2E)-(~2~H_8_)But-2-ene
    • 2-butene-1,1,1,2,3,4,4,4-d_8_, (2E)-
    • (E)-2-Butene-d8
    • 1517-55-1
    • 2-butene-d8
    • trans-2-buten-d8
    • Inchi: 1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+/i1D3,2D3,3D,4D
    • InChI Key: IAQRGUVFOMOMEM-BDYLZKADSA-N
    • SMILES: C(/[2H])(\C([2H])([2H])[2H])=C(\[2H])/C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 64.113
  • Monoisotopic Mass: 64.113
  • Isotope Atom Count: 8
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 4
  • Rotatable Bond Count: 0
  • Complexity: 15.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.727
  • Boiling Point: 3.7°Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.384
  • LogP: 1.58240
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