Cas no 141645-75-2 (1H-Indole, 2-butyl-1-methyl-5-nitro-)

1H-Indole, 2-butyl-1-methyl-5-nitro- structure
141645-75-2 structure
Product Name:1H-Indole, 2-butyl-1-methyl-5-nitro-
CAS No:141645-75-2
MF:C13H16N2O2
MW:232.278343200684
CID:1313729
Update Time:2024-08-19

1H-Indole, 2-butyl-1-methyl-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole, 2-butyl-1-methyl-5-nitro-
    • Inchi: 1S/C13H16N2O2/c1-3-4-5-11-8-10-9-12(15(16)17)6-7-13(10)14(11)2/h6-9H,3-5H2,1-2H3
    • InChI Key: RGPUXXZXJIPTFR-UHFFFAOYSA-N
    • SMILES: N1(C)C2=C(C=C([N+]([O-])=O)C=C2)C=C1CCCC

Computed Properties

  • Exact Mass: 232.12128

Experimental Properties

  • Density: 1.16±0.1 g/cm3(Predicted)
  • Boiling Point: 384.6±22.0 °C(Predicted)
  • PSA: 48.07
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