Cas no 1256359-08-6 (2-(N-Butylaminomethyl)phenylboronic acid, pinacol ester)

2-(N-Butylaminomethyl)phenylboronic acid, pinacol ester structure
1256359-08-6 structure
Product Name:2-(N-Butylaminomethyl)phenylboronic acid, pinacol ester
CAS No:1256359-08-6
MF:C17H28BNO2
MW:289.220725059509
MDL:MFCD14280318
CID:828611
PubChem ID:44121512
Update Time:2025-04-19

2-(N-Butylaminomethyl)phenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)butan-1-amine
    • Butyl({[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
    • 2-(N-Butylaminomethyl)phenylboronic acid pinacol ester
    • B-2773
    • X0419
    • N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]butan-1-amine
    • AS-3041
    • 1256359-08-6
    • 2-(N-Butylaminomethyl)phenylboronic acid, pinacol ester
    • MFCD14280318
    • SB82246
    • N-{[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}butan-1-amine
    • F74132
    • DTXSID50657482
    • DB-364238
    • BUTYL({[2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHYL})AMINE
    • CS-0175919
    • N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]butan-1-amine
    • AKOS004911285
    • MDL: MFCD14280318
    • Inchi: 1S/C17H28BNO2/c1-6-7-12-19-13-14-10-8-9-11-15(14)18-20-16(2,3)17(4,5)21-18/h8-11,19H,6-7,12-13H2,1-5H3
    • InChI Key: XOVFRODWJPFFAR-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC=CC=2CNCCCC)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 289.22100
  • Monoisotopic Mass: 289.2213093g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 317
  • 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: 30.5?2

Experimental Properties

  • PSA: 30.49000
  • LogP: 3.26640

2-(N-Butylaminomethyl)phenylboronic acid, pinacol ester Security Information

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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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