Cas no 102753-23-1 (10H-Phenothiazine,10-[2-(4-butyl-1-piperazinyl)propyl]-)

10H-Phenothiazine,10-[2-(4-butyl-1-piperazinyl)propyl]- structure
102753-23-1 structure
Product Name:10H-Phenothiazine,10-[2-(4-butyl-1-piperazinyl)propyl]-
CAS No:102753-23-1
MF:C23H31N3S
MW:381.577344179153
CID:171065
PubChem ID:3025443
Update Time:2025-04-19

10H-Phenothiazine,10-[2-(4-butyl-1-piperazinyl)propyl]- Chemical and Physical Properties

Names and Identifiers

    • 10H-Phenothiazine,10-[2-(4-butyl-1-piperazinyl)propyl]-
    • Phenothiazine,10-[2-(4-butyl-1-piperazinyl)propyl]- (6CI)
    • 10-[2-(4-butylpiperazin-1-yl)propyl]phenothiazine
    • BRN 0046861
    • 10-(2-(4-Butyl-1-piperazinyl)propyl)phenothiazine
    • DTXSID80908030
    • 10-[2-(4-BUTYLPIPERAZIN-1-YL)PROPYL]-10H-PHENOTHIAZINE
    • 102753-23-1
    • Phenothiazine, 10-(2-(4-butyl-1-piperazinyl)propyl)-
    • Inchi: 1S/C23H31N3S/c1-3-4-13-24-14-16-25(17-15-24)19(2)18-26-20-9-5-7-11-22(20)27-23-12-8-6-10-21(23)26/h5-12,19H,3-4,13-18H2,1-2H3
    • InChI Key: VPMKEHWHZVJFQX-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2N(C2C=CC=CC1=2)CC(C)N1CCN(CCCC)CC1

Computed Properties

  • Exact Mass: 381.22413
  • Monoisotopic Mass: 381.223869
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 429
  • 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: 5.9
  • Topological Polar Surface Area: 35

Experimental Properties

  • Density: 1.109
  • Boiling Point: 518.8°Cat760mmHg
  • Flash Point: 267.5°C
  • Refractive Index: 1.595
  • PSA: 9.72
  • LogP: 5.03630
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