Cas no 63028-25-1 (3,6,9,12-Tetraazatetradecanedioic acid, 3,12-bis(carboxymethyl)-)

3,6,9,12-Tetraazatetradecanedioic acid, 3,12-bis(carboxymethyl)- structure
63028-25-1 structure
Product Name:3,6,9,12-Tetraazatetradecanedioic acid, 3,12-bis(carboxymethyl)-
CAS No:63028-25-1
MF:C14H26N4O8
MW:378.378243923187
CID:390417
PubChem ID:21811397
Update Time:2025-04-19

3,6,9,12-Tetraazatetradecanedioic acid, 3,12-bis(carboxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 3,6,9,12-Tetraazatetradecanedioic acid, 3,12-bis(carboxymethyl)-
    • 2-[2-[2-[2-[bis(carboxymethyl)amino]ethylamino]ethylamino]ethyl-(carboxymethyl)amino]acetic acid
    • DTXSID40618284
    • 3,12-Bis(carboxymethyl)-3,6,9,12-tetraazatetradecane-1,14-dioic acid
    • 63028-25-1
    • Inchi: 1S/C14H26N4O8/c19-11(20)7-17(8-12(21)22)5-3-15-1-2-16-4-6-18(9-13(23)24)10-14(25)26/h15-16H,1-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
    • InChI Key: PMALPDICOWHVDU-UHFFFAOYSA-N
    • SMILES: OC(CN(CC(=O)O)CCNCCNCCN(CC(=O)O)CC(=O)O)=O

Computed Properties

  • Exact Mass: 378.17506380g/mol
  • Monoisotopic Mass: 378.17506380g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 17
  • Complexity: 400
  • 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: -11.3
  • Topological Polar Surface Area: 180?2
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