Cas no 33804-84-1 (2-methyl-2H-Isoindole)

2-methyl-2H-Isoindole structure
2-methyl-2H-Isoindole structure
Product Name:2-methyl-2H-Isoindole
CAS No:33804-84-1
MF:C9H9N
MW:131.174462080002
CID:918402
PubChem ID:141847
Update Time:2025-04-19

2-methyl-2H-Isoindole Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-2H-Isoindole
    • 2-methylisoindole
    • 2H-Isoindole,2-methyl-
    • 2-Methyl-2H-isoindol
    • 2-methyl-isoindole
    • AC1L3JXB
    • c1-10-6-8-4-2-3-5-9(8)7-10
    • C9H9N
    • CTK1C5602
    • h2-7H,1H
    • N-methyl isoindole
    • SureCN129937
    • 33804-84-1
    • DTXSID20187468
    • n-methylisoindole
    • InChI=1/C9H9N/c1-10-6-8-4-2-3-5-9(8)7-10/h2-7H,1H
    • SCHEMBL129937
    • ZLWIMPFRPFWOGK-UHFFFAOYSA-N
    • 2H-isoindole, 2-methyl-
    • Inchi: 1S/C9H9N/c1-10-6-8-4-2-3-5-9(8)7-10/h2-7H,1H3
    • InChI Key: ZLWIMPFRPFWOGK-UHFFFAOYSA-N
    • SMILES: N1(C)C=C2C=CC=CC2=C1

Computed Properties

  • Exact Mass: 131.07357
  • Monoisotopic Mass: 131.073
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 108
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 4.9?2

Experimental Properties

  • Density: 1
  • Boiling Point: 241.4°C at 760 mmHg
  • Flash Point: 99.8°C
  • Refractive Index: 1.57
  • PSA: 4.93

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