Cas no 160535-46-6 (1,2,3-Propanetricarboxamide, N,N',N''-tris(2-methylcyclohexyl)-)

1,2,3-Propanetricarboxamide, N,N',N''-tris(2-methylcyclohexyl)- structure
160535-46-6 structure
Product Name:1,2,3-Propanetricarboxamide, N,N',N''-tris(2-methylcyclohexyl)-
CAS No:160535-46-6
MF:C27H47N3O3
MW:461.680387735367
CID:1339877
PubChem ID:66687139
Update Time:2025-04-20

1,2,3-Propanetricarboxamide, N,N',N''-tris(2-methylcyclohexyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxamide, N,N',N''-tris(2-methylcyclohexyl)-
    • Q27272816
    • RIKACLEAR PC 1
    • UNII-9O7HDO4IAI
    • 9O7HDO4IAI
    • SCHEMBL441137
    • DTXSID60889035
    • NS00076919
    • N,N',N''-Tris(2-methylcyclohexyl)-1,2,3-propanetricarboxamide
    • 1-N,2-N,3-N-tris(2-methylcyclohexyl)propane-1,2,3-tricarboxamide
    • 160535-46-6
    • 1,2,3-Propanetricarboxamide, N1,N2,N3-tris(2-methylcyclohexyl)-
    • 1,2,3-propanetricarboxylic acid tris(2-methylcyclohexylamide)
    • Tricarballylic acid tris(2-methylcyclohexylamide)
    • Inchi: 1S/C27H47N3O3/c1-18-10-4-7-13-22(18)28-25(31)16-21(27(33)30-24-15-9-6-12-20(24)3)17-26(32)29-23-14-8-5-11-19(23)2/h18-24H,4-17H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
    • InChI Key: NWDVCUXGELFJOC-UHFFFAOYSA-N
    • SMILES: O=C(C(CC(NC1CCCCC1C)=O)CC(NC1CCCCC1C)=O)NC1CCCCC1C

Computed Properties

  • Exact Mass: 461.36201
  • Monoisotopic Mass: 461.36174237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 8
  • Complexity: 629
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 87.3?2

Experimental Properties

  • PSA: 87.3
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