Cas no 925932-71-4 (3-(N-Boc-N-butylamino)phenylboronic acid)

3-(N-Boc-N-butylamino)phenylboronic acid structure
925932-71-4 structure
Product Name:3-(N-Boc-N-butylamino)phenylboronic acid
CAS No:925932-71-4
MF:C15H24BNO4
MW:293.1663646698
CID:3041242
PubChem ID:69332704
Update Time:2024-10-26

3-(N-Boc-N-butylamino)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(N-BOC-N-Butylamino)phenylboronic acid
    • [3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]boronic acid
    • V9188
    • AKOS025293549
    • 3-(N-BOC-N-BUTYLAMINO)PHENYLBORONICACID
    • 3-[(TERT-BUTOXYCARBONYL)(BUTYL)AMINO]PHENYLBORONIC ACID
    • CS-0178713
    • BS-33178
    • 925932-71-4
    • (3-((tert-Butoxycarbonyl)(butyl)amino)phenyl)boronic acid
    • (3-{[(tert-butoxy)carbonyl](butyl)amino}phenyl)boronic acid
    • DTXSID601201225
    • SCHEMBL5151051
    • F75782
    • C-(1,1-Dimethylethyl) N-(3-borylphenyl)-N-butylcarbamate
    • 3-(N-Boc-N-butylamino)phenylboronic acid
    • Inchi: 1S/C15H24BNO4/c1-5-6-10-17(14(18)21-15(2,3)4)13-9-7-8-12(11-13)16(19)20/h7-9,11,19-20H,5-6,10H2,1-4H3
    • InChI Key: PWGLYYWIKQFCSS-UHFFFAOYSA-N
    • SMILES: O(C(N(C1C=CC=C(B(O)O)C=1)CCCC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 293.1798384g/mol
  • Monoisotopic Mass: 293.1798384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 330
  • 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
  • Topological Polar Surface Area: 70

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