Cas no 28195-00-8 (4-methyl-2-(propan-2-yl)aminobenzonitrile)

4-methyl-2-(propan-2-yl)aminobenzonitrile structure
28195-00-8 structure
Product Name:4-methyl-2-(propan-2-yl)aminobenzonitrile
CAS No:28195-00-8
MF:C11H14N2
MW:174.242262363434
MDL:MFCD00001828
CID:258962
PubChem ID:119887
Update Time:2025-04-19

4-methyl-2-(propan-2-yl)aminobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-methyl-2-[(1-methylethyl)amino]-
    • 4-methyl-2-(propan-2-ylamino)benzonitrile
    • 2-Isopropylamino-4-methylbenzonitrile
    • NS00028436
    • InChI=1/C11H14N2/c1-8(2)13-11-6-9(3)4-5-10(11)7-12/h4-6,8,13H,1-3H
    • 2-(Isopropylamino)-4-methylbenzonitrile
    • Benzonitrile, 4-methyl-2-[(1-methylethyl)amino]-
    • AKOS011590933
    • EINECS 248-892-2
    • DTXSID10182462
    • 4-methyl-2-[(propan-2-yl)amino]benzonitrile
    • SCHEMBL873277
    • EN300-323050
    • 28195-00-8
    • 4-methyl-2-(propan-2-yl)aminobenzonitrile
    • MDL: MFCD00001828
    • Inchi: 1S/C11H14N2/c1-8(2)13-11-6-9(3)4-5-10(11)7-12/h4-6,8,13H,1-3H3
    • InChI Key: HVKRBGJBJXDAGA-UHFFFAOYSA-N
    • SMILES: N(C1C(C#N)=CC=C(C)C=1)C(C)C

Computed Properties

  • Exact Mass: 174.11582
  • Monoisotopic Mass: 174.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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: 3.3
  • Topological Polar Surface Area: 35.8?2

Experimental Properties

  • Density: 1
  • Boiling Point: 323.6°Cat760mmHg
  • Flash Point: 149.5°C
  • Refractive Index: 1.528
  • PSA: 35.82

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