Cas no 1442-82-6 (3-Butenylamine,4-[5-chloro-2-(methylthio)phenyl]-N,N-dimethyl-4-phenyl-, hydrochloride(7CI,8CI))

3-Butenylamine,4-[5-chloro-2-(methylthio)phenyl]-N,N-dimethyl-4-phenyl-, hydrochloride(7CI,8CI) structure
1442-82-6 structure
Product Name:3-Butenylamine,4-[5-chloro-2-(methylthio)phenyl]-N,N-dimethyl-4-phenyl-, hydrochloride(7CI,8CI)
CAS No:1442-82-6
MF:C19H23Cl2NS
MW:368.36362195015
CID:145342
PubChem ID:6433277
Update Time:2025-04-19

3-Butenylamine,4-[5-chloro-2-(methylthio)phenyl]-N,N-dimethyl-4-phenyl-, hydrochloride(7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Butenylamine,4-[5-chloro-2-(methylthio)phenyl]-N,N-dimethyl-4-phenyl-, hydrochloride(7CI,8CI)
    • [(Z)-4-(5-chloro-2-methylsulfanylphenyl)-4-phenylbut-3-enyl]-dimethylazanium,chloride
    • 4-(5-Chloro-2-(methylthio)phenyl)-N,N-dimethyl-4-phenyl-3-butenylamine hydrochloride
    • 1442-82-6
    • 3-Butenylamine, 4-(5-chloro-2-(methylthio)phenyl)-N,N-dimethyl-4-phenyl-, hydrochloride
    • Inchi: 1S/C19H22ClNS.ClH/c1-21(2)13-7-10-17(15-8-5-4-6-9-15)18-14-16(20)11-12-19(18)22-3;/h4-6,8-12,14H,7,13H2,1-3H3;1H/b17-10-;
    • InChI Key: AMAVTBPCWFKFIP-HVHKRRFMSA-N
    • SMILES: ClC1C=CC(=C(C=1)/C(/C1C=CC=CC=1)=C\CC[NH+](C)C)SC.[Cl-]

Computed Properties

  • Exact Mass: 343.913
  • Monoisotopic Mass: 367.092826
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 349
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.7

Experimental Properties

  • Boiling Point: 466.7°C at 760 mmHg
  • Flash Point: 236°C
  • PSA: 5.9
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