Cas no 113283-97-9 (13-Oxa-2,7,11-triazatetradecanoic acid, 12-oxo-14-phenyl-7-[(phenylmethoxy)carbonyl]-, phenylmethyl ester)

13-Oxa-2,7,11-triazatetradecanoic acid, 12-oxo-14-phenyl-7-[(phenylmethoxy)carbonyl]-, phenylmethyl ester structure
113283-97-9 structure
Product Name:13-Oxa-2,7,11-triazatetradecanoic acid, 12-oxo-14-phenyl-7-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
CAS No:113283-97-9
MF:C31H37N3O6
MW:547.641988515854
CID:6641393
Update Time:2024-01-29

13-Oxa-2,7,11-triazatetradecanoic acid, 12-oxo-14-phenyl-7-[(phenylmethoxy)carbonyl]-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • 13-Oxa-2,7,11-triazatetradecanoic acid, 12-oxo-14-phenyl-7-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
    • Inchi: 1S/C31H37N3O6/c35-29(38-23-26-13-4-1-5-14-26)32-19-10-11-21-34(31(37)40-25-28-17-8-3-9-18-28)22-12-20-33-30(36)39-24-27-15-6-2-7-16-27/h1-9,13-18H,10-12,19-25H2,(H,32,35)(H,33,36)
    • InChI Key: OQHLWDMPPGASIR-UHFFFAOYSA-N
    • SMILES: C(OCC1=CC=CC=C1)(=O)NCCCCN(C(OCC1=CC=CC=C1)=O)CCCNC(=O)OCC1=CC=CC=C1

Experimental Properties

  • Density: 1.189±0.06 g/cm3(Predicted)
  • Boiling Point: 723.1±60.0 °C(Predicted)
  • pka: 12.55±0.46(Predicted)
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