Cas no 23840-48-4 (3-methyl-3H-Benz[e]indole)

3-methyl-3H-Benz[e]indole structure
3-methyl-3H-Benz[e]indole structure
Product Name:3-methyl-3H-Benz[e]indole
CAS No:23840-48-4
MF:C13H11N
MW:181.233143091202
CID:1109563
Update Time:2024-07-25

3-methyl-3H-Benz[e]indole Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-3H-Benz[e]indole
    • 3H-Benz[e]indole, 3-methyl-
    • Inchi: 1S/C13H11N/c1-14-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14/h2-9H,1H3
    • InChI Key: UTKJTNQQUYYCQC-UHFFFAOYSA-N
    • SMILES: N1(C)C2=C(C3=CC=CC=C3C=C2)C=C1

Computed Properties

  • Exact Mass: 181.08923

Experimental Properties

  • Density: 1.09±0.1 g/cm3(Predicted)
  • Melting Point: 54-55.5 °C
  • Boiling Point: 354.7±11.0 °C(Predicted)
  • PSA: 4.93
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