Cas no 22253-33-4 (Pyridine,4-(1,4-dimethylpentyl)-)

Pyridine,4-(1,4-dimethylpentyl)- structure
22253-33-4 structure
Product Name:Pyridine,4-(1,4-dimethylpentyl)-
CAS No:22253-33-4
MF:C12H19N
MW:177.28596329689
CID:266068
PubChem ID:271144
Update Time:2025-04-19

Pyridine,4-(1,4-dimethylpentyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyridine,4-(1,4-dimethylpentyl)-
    • 4-(5-methylhexan-2-yl)pyridine
    • 4-(1,4-dimethyl-pentyl)-pyridine
    • AC1L6PXU
    • AC1Q4WT8
    • AG-J-30624
    • AR-1F6463
    • CTK4E9011
    • NSC114561
    • SCHEMBL22135293
    • NSC-114561
    • DTXSID10297161
    • 22253-33-4
    • Inchi: 1S/C12H19N/c1-10(2)4-5-11(3)12-6-8-13-9-7-12/h6-11H,4-5H2,1-3H3
    • InChI Key: APMKBQGHOCVLTI-UHFFFAOYSA-N
    • SMILES: N1C=CC(=CC=1)C(C)CCC(C)C

Computed Properties

  • Exact Mass: 177.15187
  • Monoisotopic Mass: 177.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 125
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 0.89
  • Boiling Point: 251.7°Cat760mmHg
  • Flash Point: 93.8°C
  • Refractive Index: 1.484
  • PSA: 12.89
  • LogP: 3.62130
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