Cas no 75560-45-1 (Heptane-1-13C (9CI))

Heptane-1-13C (9CI) structure
Heptane-1-13C (9CI) structure
Product Name:Heptane-1-13C (9CI)
CAS No:75560-45-1
MF:C7H16
MW:101.194597244263
CID:558998
PubChem ID:16213578
Update Time:2025-04-19

Heptane-1-13C (9CI) Chemical and Physical Properties

Names and Identifiers

    • Heptane-1-13C (9CI)
    • heptane
    • HEPTANE-1-13C
    • [1-13C]heptane
    • 492728_ALDRICH
    • AC1Q2VOY
    • I14-46089
    • n-Heptan-< 1-13C(1)>
    • Heptane-1-13C, 99 atom % 13C
    • AKOS015913068
    • (1-~13~C)Heptane
    • DTXSID30584045
    • (113C)heptane
    • 75560-45-1
    • Inchi： 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1+1
    • InChI Key： IMNFDUFMRHMDMM-OUBTZVSYSA-N
    • SMILES： C(CCC)CC[13CH3]

Computed Properties

  • Exact Mass: 101.128555346g/mol
  • Monoisotopic Mass: 101.128555346g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 4
  • Complexity: 23.2
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.691?g/mL?at 25?°C
  • Melting Point: ?91?°C(lit.)
  • Boiling Point: 98?°C(lit.)
  • Flash Point: 30?°F
  • Refractive Index: n20/D 1.378(lit.)

Heptane-1-13C (9CI) Security Information

  • Hazardous Material transportation number：UN 1206 3/PG 2
  • WGK Germany：3
  • Hazard Category Code： 11
  • Safety Instruction： 9-16-23-29-33
  • Hazardous Material Identification： F
  • Risk Phrases：11

Heptane-1-13C (9CI) Related Literature

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