Cas no 111628-35-4 (1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl-)

1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl- structure
111628-35-4 structure
Product Name:1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl-
CAS No:111628-35-4
MF:C11H15N3S
MW:221.321900606155
CID:129338
PubChem ID:10585091
Update Time:2025-04-18

1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl-
    • 1,2-Ethanediamine,N-2-benzothiazolyl-N,N-dimethyl-(9CI)
    • SCHEMBL10626311
    • AKOS011883033
    • 111628-35-4
    • N1-(Benzo[d]thiazol-2-yl)-N1,N2-dimethylethane-1,2-diamine
    • Inchi: 1S/C11H15N3S/c1-12-7-8-14(2)11-13-9-5-3-4-6-10(9)15-11/h3-6,12H,7-8H2,1-2H3
    • InChI Key: HPTXHUOLBAFRGW-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2N=C1N(C)CCNC

Computed Properties

  • Exact Mass: 221.09885
  • Monoisotopic Mass: 221.09866866g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 200
  • 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: 2.4
  • Topological Polar Surface Area: 56.4?2

Experimental Properties

  • PSA: 28.16
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