Product Name

  • Name

    3-AMINOMETHYLPHENYLBORONIC ACID, PINACOL ESTER, HCL

  • EINECS
  • CAS No. 380430-65-9
  • Density
  • Solubility
  • Melting Point 169-171°C
  • Formula C13H21BClNO2
  • Boiling Point 352.5 °C at 760 mmHg
  • Molecular Weight 269.579
  • Flash Point 167 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 380430-65-9 (3-AMINOMETHYLPHENYLBORONIC ACID, PINACOL ESTER, HCL)
  • Hazard Symbols Xi
  • Synonyms Benzenemethanamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (9CI);[[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aminehydrochloride;
  • PSA 44.48000
  • LogP 2.94680

Benzenemethanamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1) Specification

The Benzenemethanamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1), with CAS registry number 380430-65-9, belongs to the following product categories: (1)Blocks; (2)BoronicAcids. It has the systematic name of [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanaminium chloride. And the chemical formula of this chemical is C13H21BClNO2.

Physical properties of Benzenemethanamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1): (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 18.46 Å2; (5)Flash Point: 167 °C; (6)Enthalpy of Vaporization: 59.73 kJ/mol; (7)Boiling Point: 352.5 °C at 760 mmHg; (8)Vapour Pressure: 3.82E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenemethanamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O1B(OC(C)(C)C1(C)C)c2cccc(c2)C[NH3+]
(2)InChI: InChI=1/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15;/h5-8H,9,15H2,1-4H3;1H
(3)InChIKey: BZZYJHQGJDCCCZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15;/h5-8H,9,15H2,1-4H3;1H
(5)Std. InChIKey: BZZYJHQGJDCCCZ-UHFFFAOYSA-N

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