Cas no 874290-98-9 (4-(3-Benzylureido)phenylboronic acid, pinacol ester)

4-(3-Benzylureido)phenylboronic acid, pinacol ester structure
874290-98-9 structure
Product Name:4-(3-Benzylureido)phenylboronic acid, pinacol ester
CAS No:874290-98-9
MF:C20H25BN2O3
MW:352.235105276108
MDL:MFCD08689513
CID:719847
PubChem ID:44119374
Update Time:2025-04-19

4-(3-Benzylureido)phenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
    • 4-(3-Benzylureido)benzeneboronic acid pinacol ester
    • 1-benzyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • 4-(3-BENZYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER
    • Urea,N-(phenylmethyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
    • D93000
    • MFCD08689513
    • N-Benzyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • 4-[(Benzylcarbamoyl)amino]benzeneboronic acid, pinacol ester
    • ZJB29098
    • DTXSID30657182
    • A853394
    • 4-(3-Benzylureido)benzeneboronic acid, pinacol ester
    • CS-0174576
    • 874290-98-9
    • PS-9667
    • AKOS015999343
    • 4-(3-Benzylureido)phenylboronic acid pinacol ester
    • 4-[(BENZYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-BENZYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
    • 4-(3-Benzylureido)phenylboronic acid, pinacol ester
    • MDL： MFCD08689513
    • Inchi： 1S/C20H25BN2O3/c1-19(2)20(3,4)26-21(25-19)16-10-12-17(13-11-16)23-18(24)22-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,22,23,24)
    • InChI Key： CEICAHXVTFTLSN-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC(=CC=2)NC(NCC2C=CC=CC=2)=O)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 352.19600
  • Monoisotopic Mass: 352.196
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 467
  • 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: 59.6A^2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: 204-207
  • Boiling Point: 483.7±45.0 °C at 760 mmHg
  • Flash Point: 246.3±28.7 °C
  • Refractive Index: 1.566
  • PSA: 59.59000
  • LogP: 3.77140
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

4-(3-Benzylureido)phenylboronic acid, pinacol ester Security Information

4-(3-Benzylureido)phenylboronic acid, pinacol ester Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(3-Benzylureido)phenylboronic acid, pinacol ester Pricemore >>

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