Cas no 104395-69-9 (1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane)

1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane structure
104395-69-9 structure
Product Name:1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane
CAS No:104395-69-9
MF:C31H42N4O6S3
MW:662.883384227753
CID:1089786
PubChem ID:11966769
Update Time:2025-09-22

1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane Chemical and Physical Properties

Names and Identifiers

    • 1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane
    • 1,4,8-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane
    • 1,4,8,11-Tetraazacyclotetradecane, 1,4,8-tris[(4-methylphenyl)sulfonyl]-
    • 1,4,8-tri(p-tosyl)-1,4,8,11-tetraazacyclotetradecane
    • ACMC-20m76w
    • AGN-PC-00IX30
    • AK141434
    • CTK0G6361
    • SureCN3111901
    • tris-(p-toluenesulfonyl)-1,4,8,11-tetraazacyclotetradecane
    • 4,8,11 -Tris(p-tolylsulfonyl)-1,4,8,11-tetraazacyclotetradecane
    • 1,4,8,11-Tetraazacy clotetradecance, 1,4,8-tris[(4 Methylphenyl)sufonyl]-
    • AKOS022173286
    • DTXSID40474903
    • 104395-69-9
    • N,N',N''-Tri(tosyl)cyclam
    • 1,4,8-Tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane
    • 1,4,8-tris(4-methylbenzenesulfonyl)-1,4,8,11-tetraazacyclotetradecane
    • UWX2FG5LJT
    • SCHEMBL3111901
    • AGQXRPMVTPWIED-UHFFFAOYSA-N
    • Inchi： 1S/C31H42N4O6S3/c1-26-6-12-29(13-7-26)42(36,37)33-21-5-22-35(44(40,41)31-16-10-28(3)11-17-31)25-24-34(20-4-18-32-19-23-33)43(38,39)30-14-8-27(2)9-15-30/h6-17,32H,4-5,18-25H2,1-3H3
    • InChI Key： AGQXRPMVTPWIED-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C)=CC=1)(N1CCCN(CCNCCCN(CC1)S(C1C=CC(C)=CC=1)(=O)=O)S(C1C=CC(C)=CC=1)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 662.22696
  • Monoisotopic Mass: 662.22664859g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 6
  • Complexity: 1190
  • 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: 3.9
  • Topological Polar Surface Area: 149?2

Experimental Properties

  • Density: 1.255±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 85-87 oC (toluene )
  • Solubility: Almost insoluble (0.036 g/l) (25 o C),
  • PSA: 124.17
  • LogP: 6.75260

1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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 $469.26 2023-09-04
Chemenu
CM202208-1g
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Chemenu
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