Cas no 51332-25-3 (Benzonitrile, 4-(dimethylamino)-2-(trifluoromethyl)-)

Benzonitrile, 4-(dimethylamino)-2-(trifluoromethyl)- structure
51332-25-3 structure
Product Name:Benzonitrile, 4-(dimethylamino)-2-(trifluoromethyl)-
CAS No:51332-25-3
MF:C10H9F3N2
MW:214.187072515488
MDL:MFCD11178447
CID:362524
PubChem ID:11160193
Update Time:2025-10-05

Benzonitrile, 4-(dimethylamino)-2-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-(dimethylamino)-2-(trifluoromethyl)-
    • 4-(dimethylamino)-2-(trifluoromethyl)benzonitrile
    • HTHPHSCHVAJUNX-UHFFFAOYSA-N
    • LS-11245
    • 51332-25-3
    • SCHEMBL3040911
    • DTXSID60457253
    • AKOS009305294
    • MFCD11178447
    • MDL: MFCD11178447
    • Inchi: 1S/C10H9F3N2/c1-15(2)8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5H,1-2H3
    • InChI Key: HTHPHSCHVAJUNX-UHFFFAOYSA-N
    • SMILES: FC(C1=C(C#N)C=CC(=C1)N(C)C)(F)F

Computed Properties

  • Exact Mass: 214.07187
  • Monoisotopic Mass: 214.07178278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 264
  • 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: 2.6
  • Topological Polar Surface Area: 27?2

Experimental Properties

  • PSA: 27.03

Benzonitrile, 4-(dimethylamino)-2-(trifluoromethyl)- Pricemore >>

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