Cas no 4475-42-7 (21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-)

21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl- structure
4475-42-7 structure
Product Name:21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-
CAS No:4475-42-7
MF:C28H36N4
MW:428.612246513367
CID:325500
PubChem ID:634396
Update Time:2025-04-19

21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl- Chemical and Physical Properties

Names and Identifiers

    • 21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-
    • 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin
    • MESO-OCTAMETHYLCALIX(4)PYRROLE
    • (meso-octamethylporphyrinogen)H4
    • 1,1,2,2,3,3,4,4-meso-octamethylcalix[4]pyrrole
    • 21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl
    • 5,5,10,10,15,15,20,20-octamethylcalix[4]pyrrole
    • 5,5,10,10,15,15,20,20-octamethylporphyrinogen
    • calix[4]pyrrole
    • I11-1141
    • meso-octamethylcalix[4]pyrrole
    • SCHEMBL13321931
    • meso-Octamethylcalix(4)pyrrole, 97%
    • XZCHDFOYWDLFEY-UHFFFAOYSA-N
    • meso-octamethylporphyrinogen
    • DTXSID00348292
    • 21H,23H-Porphine, 5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl-
    • Q27122722
    • CS-0368275
    • AKOS015898336
    • 4475-42-7
    • 5,5,10,10,15,15,20,20-octamethyl-5,10,15,20,22,24-hexahydroporphyrin
    • octamethyl-calix[4]pyrrole
    • CHEBI:51701
    • Inchi: 1S/C28H36N4/c1-25(2)17-9-11-19(29-17)26(3,4)21-13-15-23(31-21)28(7,8)24-16-14-22(32-24)27(5,6)20-12-10-18(25)30-20/h9-16,29-32H,1-8H3
    • InChI Key: XZCHDFOYWDLFEY-UHFFFAOYSA-N
    • SMILES: N1C2=CC=C1C(C)(C)C1=CC=C(C(C)(C)C3=CC=C(C(C)(C)C4=CC=C(C2(C)C)N4)N3)N1

Computed Properties

  • Exact Mass: 428.29400
  • Monoisotopic Mass: 428.29399717g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 0
  • Complexity: 542
  • 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: nothing
  • XLogP3: 6.6
  • Topological Polar Surface Area: 63.2?2

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.074
  • Boiling Point: 572.844°C at 760 mmHg
  • Flash Point: 238.735°C
  • Refractive Index: 1.575
  • PSA: 63.16000
  • LogP: 6.61600
  • Solubility: Uncertain

21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl- Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

21H,23H-Porphine,5,10,15,20,22,24-hexahydro-5,5,10,10,15,15,20,20-octamethyl- Pricemore >>

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