Cas no 38031-78-6 (3-tert-butylpyridine)

3-tert-butylpyridine structure
3-tert-butylpyridine structure
Product Name:3-tert-butylpyridine
CAS No:38031-78-6
MF:C9H13N
MW:135.206222295761
CID:1028923
PubChem ID:520879
Update Time:2025-04-20

3-tert-butylpyridine Chemical and Physical Properties

Names and Identifiers

    • 3-(1,1-dimethylethyl)-Pyridine
    • 3-(tert-Butyl)pyridine
    • 3-tert-butylpyridine
    • 3-(1.1-Dimethylethyl)-pyridin
    • 3-t-butylpyridine
    • 3-tert.-Butylpyridin
    • 3-tert.-Butyl-pyridin
    • 3-tert-Butyl-pyridin
    • 3-tert-butyl-pyridine
    • AC1LAUTI
    • AE-562
    • AGN-PC-0D3S5V
    • Pyridine, 3-(1,1-dimethylethyl)-
    • SureCN74389
    • Q63392767
    • AKOS006342841
    • 38031-78-6
    • EN300-124410
    • SCHEMBL74389
    • InChI=1/C9H13N/c1-9(2,3)8-5-4-6-10-7-8/h4-7H,1-3H
    • SB53775
    • DTXSID10334484
    • pyridine, 3-t-butyl-
    • DTXCID20285574
    • MDL: MFCD09965927
    • Inchi: 1S/C9H13N/c1-9(2,3)8-5-4-6-10-7-8/h4-7H,1-3H3
    • InChI Key: FBUIIWHYTLCORM-UHFFFAOYSA-N
    • SMILES: N1C=CC=C(C=1)C(C)(C)C

Computed Properties

  • Exact Mass: 135.10489
  • Monoisotopic Mass: 135.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 102
  • 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: 2.5
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 0.9354 (estimate)
  • Melting Point: -44°C
  • Boiling Point: 203.93°C (estimate)
  • Refractive Index: 1.4965
  • PSA: 12.89

3-tert-butylpyridine Pricemore >>

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