Cas no 111678-92-3 (1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1))

1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1) structure
111678-92-3 structure
Product Name:1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1)
CAS No:111678-92-3
MF:C12H17Cl2N3
MW:274.189480543137
CID:167094
PubChem ID:3066876
Update Time:2025-04-19

1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1)
    • 1-Propyl-2-(2-chloroethylamino)benzimidazole hydrochloride
    • N-(2-chloroethyl)-1-propylbenzimidazol-2-amine,hydrochloride
    • 1H-Benzimidazol-2-amine, N-(2-chloroethyl)-1-propyl-, monohydrochloride
    • AC1MICP4
    • CTK8G5781
    • LS-32542
    • N-(2-Chloroethyl)-1-propyl-1H-benzimidazol-2-amine monohydrochloride
    • DTXSID40149705
    • 111678-92-3
    • N-(2-chloroethyl)-1-propylbenzimidazol-2-amine;hydrochloride
    • Inchi: 1S/C12H16ClN3.ClH/c1-2-9-16-11-6-4-3-5-10(11)15-12(16)14-8-7-13;/h3-6H,2,7-9H2,1H3,(H,14,15);1H
    • InChI Key: PBAMUIKXAODGAR-UHFFFAOYSA-N
    • SMILES: ClCCNC1=NC2C=CC=CC=2N1CCC.Cl

Computed Properties

  • Exact Mass: 273.08021
  • Monoisotopic Mass: 273.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 212
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.8?2

Experimental Properties

  • Boiling Point: 377.3°Cat760mmHg
  • Flash Point: 182°C
  • PSA: 29.85
  • LogP: 3.32090
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