Cas no 170161-27-0 (1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid tris(1,1-dimethylethyl) ester)

1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid tris(1,1-dimethylethyl) ester structure
170161-27-0 structure
Product Name:1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid tris(1,1-dimethylethyl) ester
CAS No:170161-27-0
MF:C25H48N4O6
MW:500.671827316284
MDL:MFCD09263315
CID:92061
PubChem ID:10940041
Update Time:2025-04-18

1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid tris(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,4,8-Tri-Boc-1,4,8,11-tetraazacyclotetradecane
    • tritert-butyl 1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
    • tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate
    • 1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid, tris(1,1-diMethylethyl) ester
    • AKOS027314077
    • 1,4,8-TRI-TERT-BUTYL 1,4,8,11-TETRAAZACYCLOTETRADECANE-1,4,8-TRICARBOXYLATE
    • SCHEMBL7620463
    • DTXSID50449046
    • AMY7628
    • Tri-tert-butyl1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate
    • J-010603
    • FIPOUUYFPSMVMX-UHFFFAOYSA-N
    • 1,4,8-tri-(t-butyloxycarbonyl)-1,4,8,11-tetraazacyclotetradecane
    • tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate
    • tri-t-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate
    • A931569
    • 170161-27-0
    • DS-11319
    • EN300-7373984
    • MFCD09263315
    • CS-0045178
    • DB-250067
    • 1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid tris(1,1-dimethylethyl) ester
    • MDL: MFCD09263315
    • Inchi: 1S/C25H48N4O6/c1-23(2,3)33-20(30)27-15-11-16-29(22(32)35-25(7,8)9)19-18-28(14-10-12-26-13-17-27)21(31)34-24(4,5)6/h26H,10-19H2,1-9H3
    • InChI Key: FIPOUUYFPSMVMX-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCN(C(=O)OC(C)(C)C)CCCNCCN(C(=O)OC(C)(C)C)CCC1)=O

Computed Properties

  • Exact Mass: 500.35700
  • Monoisotopic Mass: 500.35738526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 9
  • Complexity: 694
  • 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: 2.9
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Color/Form: White or yellow solid
  • Density: 1.044±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 48-54°C
  • Boiling Point: 568.6°C at 760 mmHg
  • Flash Point: 297.7°C
  • Refractive Index: 1.511
  • Solubility: Slightly soluble (1.5 g/l) (25 o C),
  • PSA: 100.65000
  • LogP: 4.22360
  • Sensitiveness: Hygroscopic
  • Solubility: Insoluble in water

1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid tris(1,1-dimethylethyl) ester Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid tris(1,1-dimethylethyl) ester Pricemore >>

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