Cas no 127040-47-5 (11H-Pyrido[3,2-a]carbazole,3-(4-methyl-1-piperazinyl)-)

11H-Pyrido[3,2-a]carbazole,3-(4-methyl-1-piperazinyl)- structure
127040-47-5 structure
Product Name:11H-Pyrido[3,2-a]carbazole,3-(4-methyl-1-piperazinyl)-
CAS No:127040-47-5
MF:C20H20N4
MW:316.399603843689
CID:152934
PubChem ID:3080053
Update Time:2025-04-19

11H-Pyrido[3,2-a]carbazole,3-(4-methyl-1-piperazinyl)- Chemical and Physical Properties

Names and Identifiers

    • 11H-Pyrido[3,2-a]carbazole,3-(4-methyl-1-piperazinyl)-
    • 11H-3-(1-(4-Methyl)piperazino)pyrido(3,2-a)carbazole
    • 3-(4-methylpiperazin-1-yl)-11H-pyrido[3,2-a]carbazole
    • 11H-Pyrido(3,2-a)carbazole, 3-(4-methyl-1-piperazinyl)-
    • 3-(4-Methyl-1-piperazinyl)-11H-pyrido(3,2-a)carbazole
    • BRN 4264126
    • HMS1632H07
    • AKOS001848674
    • MFCD01690665
    • DTXSID80155380
    • 3-(4-methylpiperazino)-11H-pyrido[3,2-a]carbazole
    • 127040-47-5
    • Oprea1_664408
    • Inchi: 1S/C20H20N4/c1-23-10-12-24(13-11-23)19-9-7-16-18(21-19)8-6-15-14-4-2-3-5-17(14)22-20(15)16/h2-9,22H,10-13H2,1H3
    • InChI Key: JGVGGLUBJHHSRP-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC3C(=CC=C4C5C=CC=CC=5NC=34)N=2)CCN(C)CC1

Computed Properties

  • Exact Mass: 315.16117
  • Monoisotopic Mass: 316.169
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 447
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 3.9
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • Density: 1.282
  • Boiling Point: 566.2°Cat760mmHg
  • Flash Point: 296.2°C
  • Refractive Index: 1.752
  • PSA: 32.26
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