Cas no 58142-96-4 (1,3-Dichloroisoquinolin-5-amine)

1,3-Dichloroisoquinolin-5-amine structure
58142-96-4 structure
Product Name:1,3-Dichloroisoquinolin-5-amine
CAS No:58142-96-4
MF:C9H6Cl2N2
MW:213.063339710236
MDL:MFCD13193567
CID:1081876
PubChem ID:21567196
Update Time:2025-04-20

1,3-Dichloroisoquinolin-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dichloroisoquinolin-5-amine
    • 5-isoquinolinamine, 1,3-dichloro-
    • LogP
    • AKOS022175856
    • DTXSID70615908
    • 58142-96-4
    • AS-60658
    • W19157
    • MDL: MFCD13193567
    • Inchi: 1S/C9H6Cl2N2/c10-8-4-6-5(9(11)13-8)2-1-3-7(6)12/h1-4H,12H2
    • InChI Key: IQDDSRIIBRSGOG-UHFFFAOYSA-N
    • SMILES: ClC1C2C=CC=C(C=2C=C(N=1)Cl)N

Computed Properties

  • Exact Mass: 211.99098
  • Monoisotopic Mass: 211.9908036g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 189
  • 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: 38.9?2

Experimental Properties

  • Density: 1.49
  • Boiling Point: 406°C at 760 mmHg
  • Flash Point: 199.3°C
  • Refractive Index: 1.715
  • PSA: 38.91

1,3-Dichloroisoquinolin-5-amine Pricemore >>

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