Cas no 313270-56-3 (1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3,5-dimethylphenyl)-)

1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3,5-dimethylphenyl)- structure
313270-56-3 structure
Product Name:1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3,5-dimethylphenyl)-
CAS No:313270-56-3
MF:C18H29NO4
MW:323.427165746689
CID:1446822
Update Time:2024-08-24

1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3,5-dimethylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3,5-dimethylphenyl)-
    • N-(3,5-dimethylphenyl)-1-aza-15-crown-5
    • Inchi: 1S/C18H29NO4/c1-16-13-17(2)15-18(14-16)19-3-5-20-7-9-22-11-12-23-10-8-21-6-4-19/h13-15H,3-12H2,1-2H3
    • InChI Key: IELGKXKSXZDOLM-UHFFFAOYSA-N
    • SMILES: O1CCN(C2=CC(C)=CC(C)=C2)CCOCCOCCOCC1

Computed Properties

  • Exact Mass: 323.20977

Experimental Properties

  • Density: 1.016±0.06 g/cm3(Predicted)
  • Boiling Point: 499.7±45.0 °C(Predicted)
  • PSA: 40.16
  • pka: 5.46±0.40(Predicted)
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