Cas no 108014-19-3 (10H-Phenothiazine-2-carbonitrile, 10-[2-methyl-3-(methylamino)propyl]-)

10H-Phenothiazine-2-carbonitrile, 10-[2-methyl-3-(methylamino)propyl]- structure
108014-19-3 structure
Product Name:10H-Phenothiazine-2-carbonitrile, 10-[2-methyl-3-(methylamino)propyl]-
CAS No:108014-19-3
MF:C18H19N3S
MW:309.428562402725
CID:1189739
PubChem ID:10403087
Update Time:2025-04-20

10H-Phenothiazine-2-carbonitrile, 10-[2-methyl-3-(methylamino)propyl]- Chemical and Physical Properties

Names and Identifiers

    • 10H-Phenothiazine-2-carbonitrile, 10-[2-methyl-3-(methylamino)propyl]-
    • 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile
    • DESMETHYLCYAMEMAZINE
    • DTXSID90439385
    • SCHEMBL2639793
    • 108014-19-3
    • NS00116531
    • Inchi: 1S/C18H19N3S/c1-13(11-20-2)12-21-15-5-3-4-6-17(15)22-18-8-7-14(10-19)9-16(18)21/h3-9,13,20H,11-12H2,1-2H3
    • InChI Key: RJBGVEFRAZYALY-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2N(C2C=C(C#N)C=CC1=2)CC(C)CNC

Computed Properties

  • Exact Mass: 309.13017
  • Monoisotopic Mass: 309.12996879g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 418
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 64.4?2

Experimental Properties

  • PSA: 39.06
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