Cas no 49813-61-8 (1H-Pyrrole, dimethyl-)

1H-Pyrrole, dimethyl- structure
1H-Pyrrole, dimethyl- structure
Product Name:1H-Pyrrole, dimethyl-
CAS No:49813-61-8
MF:C12H18N2
MW:190.284722805023
CID:2714614
PubChem ID:39537
Update Time:2025-04-21

1H-Pyrrole, dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,3-dimethyl-1H-pyrrole,2,4-dimethyl-1H-pyrrole
    • 1H-Pyrrole, dimethyl-
    • 2,3-Dimethyl-1H-pyrrole--2,4-dimethyl-1H-pyrrole (1/1)
    • DTXSID90964420
    • 49813-61-8
    • Inchi: 1S/2C6H9N/c1-5-3-6(2)7-4-5;1-5-3-4-7-6(5)2/h2*3-4,7H,1-2H3
    • InChI Key: ZVWLZONMZPHJMO-UHFFFAOYSA-N
    • SMILES: N1C=CC(C)=C1C.N1C=C(C)C=C1C

Computed Properties

  • Exact Mass: 95.073
  • Monoisotopic Mass: 95.073
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 61.2
  • 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
  • Topological Polar Surface Area: 31.6?2

Experimental Properties

  • Density: 0.87g/cm3
  • Boiling Point: 140oC at 760 mmHg
  • Flash Point: 35.2oC
  • Refractive Index: 1.484
  • LogP: 3.26300
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