Product Name

  • Name

    4-(DIPROPYLCARBAMOYL)PHENYLBORONIC ACID

  • EINECS
  • CAS No. 850568-32-0
  • Density 1.1 g/cm3
  • Solubility
  • Melting Point 120-124 °C
  • Formula C13H20BNO3
  • Boiling Point 442.7 °C at 760 mmHg
  • Molecular Weight 249.118
  • Flash Point 221.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 850568-32-0 (4-(DIPROPYLCARBAMOYL)PHENYLBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms Boronicacid, [4-[(dipropylamino)carbonyl]phenyl]- (9CI);4-(Dipropylcarbamoyl)phenylboronic acid;4-(N,N-Dipropylaminocarbonyl)benzeneboronic acid;
  • PSA 60.77000
  • LogP 0.62860

Boronic acid,B-[4-[(dipropylamino)carbonyl]phenyl]- Specification

The systematic name of Boronic acid,B-[4-[(dipropylamino)carbonyl]phenyl]- is [4-(dipropylcarbamoyl)phenyl]boronic acid. With the CAS registry number 850568-32-0, it is also named as 4-(N,N-Dipropylaminocarbonyl)benzeneboronic acid. The product's categories are Blocks; Boronic Acids. In addition, its molecular formula is C13H20BNO3 and its molecular weight is 249.11.

The other characteristics of Boronic acid,B-[4-[(dipropylamino)carbonyl]phenyl]- can be summarized as: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.86; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 60.77 Å2; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 69.69 cm3; (11)Molar Volume: 225.2 cm3; (12)Polarizability: 27.62×10-24cm3; (13)Surface Tension: 44.5 dyne/cm; (14)Density: 1.1 g/cm3; (15)Flash Point: 221.6 °C; (16)Melting Point: 120-124 °C; (17)Enthalpy of Vaporization: 73.8 kJ/mol; (18)Boiling Point: 442.7 °C at 760 mmHg; (19)Vapour Pressure: 1.29E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(cc1)C(=O)N(CCC)CCC)(O)O
(2)InChI: InChI=1/C13H20BNO3/c1-3-9-15(10-4-2)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,17-18H,3-4,9-10H2,1-2H3
(3)InChIKey: YMGIJQOMEWJVKA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H20BNO3/c1-3-9-15(10-4-2)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,17-18H,3-4,9-10H2,1-2H3
(5)Std. InChIKey: YMGIJQOMEWJVKA-UHFFFAOYSA-N

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