Cas no 128638-14-2 (Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-)

Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)- structure
128638-14-2 structure
Product Name:Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-
CAS No:128638-14-2
MF:C17H20N2O3
MW:300.352304458618
CID:145499
Update Time:2024-01-25

Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)- Chemical and Physical Properties

Names and Identifiers

    • Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-
    • Salacin
    • Salacine
    • Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S-trans)-
    • Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde, 1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-
    • Inchi: 1S/C17H20N2O3/c1-2-12(21)7-8-15-17(9-10-19(15)11-20)13-5-3-4-6-14(13)18-16(17)22/h3-6,11,15H,2,7-10H2,1H3,(H,18,22)/t15-,17-/m0/s1
    • InChI Key: YTWQDQXQXNAHQJ-RDJZCZTQSA-N
    • SMILES: N1C2=C(C=CC=C2)[C@]2(CCN(C=O)[C@H]2CCC(=O)CC)C1=O

Computed Properties

  • Exact Mass: 300.1475

Experimental Properties

  • Density: 1.25±0.1 g/cm3(Predicted)
  • Boiling Point: 556.3±50.0 °C(Predicted)
  • PSA: 66.48
  • pka: 13.30±0.40(Predicted)
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