Cas no 2909-81-1 (aniline, 2-tert-butyl-4-methyl-)

aniline, 2-tert-butyl-4-methyl- structure
2909-81-1 structure
Product Name:aniline, 2-tert-butyl-4-methyl-
CAS No:2909-81-1
MF:C11H17N
MW:163.259382963181
CID:915356
PubChem ID:520407
Update Time:2025-04-19

aniline, 2-tert-butyl-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • aniline, 2-tert-butyl-4-methyl-
    • 2-tert-Butyl-p-toluidine
    • SCHEMBL10216057
    • 2909-81-1
    • MNPOGGDABVIFEM-UHFFFAOYSA-N
    • 2-(tert-butyl)-4-methylaniline
    • Inchi: 1S/C11H17N/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7H,12H2,1-4H3
    • InChI Key: MNPOGGDABVIFEM-UHFFFAOYSA-N
    • SMILES: NC1C=CC(C)=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 163.13621
  • Monoisotopic Mass: 163.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 146
  • 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: 3
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 0.934±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 81 oC (1 Torr)
  • Flash Point: 103.8±14.0 oC,
  • Refractive Index: 1.5368 (589.3 nm 20 oC)
  • Solubility: Very slightly soluble (0.29 g/l) (25 o C),
  • PSA: 26.02
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