Cas no 106112-20-3 (2-4-(propan-2-yl)phenylpropanenitrile)

2-4-(propan-2-yl)phenylpropanenitrile structure
106112-20-3 structure
Product Name:2-4-(propan-2-yl)phenylpropanenitrile
CAS No:106112-20-3
MF:C12H15N
MW:173.254203081131
CID:127003
PubChem ID:13682010
Update Time:2025-04-18

2-4-(propan-2-yl)phenylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile, a-methyl-4-(1-methylethyl)-
    • 2-(4-propan-2-ylphenyl)propanenitrile
    • Benzeneacetonitrile, alpha-methyl-4-(1-methylethyl)- (9CI)
    • Benzeneacetonitrile, α-methyl-4-(1-methylethyl)-
    • SCHEMBL955060
    • EN300-1826945
    • 2-(4-Isopropylphenyl)propanenitrile
    • JYOPIUADEJQGBT-UHFFFAOYSA-N
    • DTXSID40546614
    • 2-(4-Isopropylphenyl)propionitrile
    • 2-[4-(Propan-2-yl)phenyl]propanenitrile
    • 2-(4-isopropylphenyl) propionitrile
    • 106112-20-3
    • 2-4-(propan-2-yl)phenylpropanenitrile
    • Inchi： 1S/C12H15N/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-7,9-10H,1-3H3
    • InChI Key： JYOPIUADEJQGBT-UHFFFAOYSA-N
    • SMILES： N#CC(C)C1C=CC(=CC=1)C(C)C

Computed Properties

  • Exact Mass: 173.12055
  • Monoisotopic Mass: 173.120449483g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 190
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.3
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 0.946±0.06 g/cm3(Predicted)
  • Boiling Point: 265.5±9.0 °C(Predicted)
  • PSA: 23.79
  • LogP: 3.43708

2-4-(propan-2-yl)phenylpropanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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Enamine
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