Cas no 1129541-91-8 (Tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate)

Tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate structure
1129541-91-8 structure
Product Name:Tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
CAS No:1129541-91-8
MF:C22H32BN3O4
MW:413.318185806274
MDL:MFCD28128957
CID:2117431
Update Time:2023-08-04

Tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
    • CYKOXCOUYUJHFV-UHFFFAOYSA-N
    • Tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
    • MDL： MFCD28128957
    • Inchi： 1S/C22H32BN3O4/c1-20(2,3)28-19(27)26-10-8-25(9-11-26)18-13-16(15-24)12-17(14-18)23-29-21(4,5)22(6,7)30-23/h12-14H,8-11H2,1-7H3
    • InChI Key： CYKOXCOUYUJHFV-UHFFFAOYSA-N
    • SMILES： O1B(C2C=C(C#N)C=C(C=2)N2CCN(C(=O)OC(C)(C)C)CC2)OC(C)(C)C1(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 672
  • Topological Polar Surface Area: 75

Tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate Pricemore >>

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Tert-butyl 4-(3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate Related Literature

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