Product Name

  • Name

    1-BOC-5-METHYL-1H-INDOLE-2-BORONIC ACID

  • EINECS
  • CAS No. 475102-14-8
  • Article Data2
  • CAS DataBase
  • Density 1.16 g/cm3
  • Solubility
  • Melting Point 112-116 °C
  • Formula C14H18BNO4
  • Boiling Point 456.8 °C at 760 mmHg
  • Molecular Weight 275.112
  • Flash Point 230.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 475102-14-8 (1-BOC-5-METHYL-1H-INDOLE-2-BORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms 5-METHYLINDOLE-2-BORONIC ACID, BOC PROTECTED;1-T-BUTOXYCARBONYL-5-METHYLINDOLE-2-BORONIC ACID;1-BOC-5-METHYL-1H-INDOLE-2-BORONIC ACID;1-BOC-5-METHYL-2-INDOLEBORONIC ACID;1-BOC-5-METHYLINDOLE-2-BORONIC ACID;N-TERT-BUTOXYCARBONYL-5-METHYL-1H-INDOLE-2-BORONIC ACID;5-Methyl-1H-indole-2-boronic acid, BOC protected;5-Methyl-1H-indole-2-boronic acid, BOC protected 97%
  • PSA 71.69000
  • LogP 1.41270

[1-(tert-Butoxycarbonyl)-5-methyl-1H-indol-2-yl]boronic acid Specification

This chemical is called [1-(tert-Butoxycarbonyl)-5-methyl-1H-indol-2-yl]boronic acid, and its CAS registry number is 475102-14-8. With the molecular formula of C14H18BNO4, its molecular weight is 275.11. Additionally, its product categories are Blocks; BoronicAcids; Indoles Oxindoles. It should be kept cold.

Other characteristics of the [1-(tert-Butoxycarbonyl)-5-methyl-1H-indol-2-yl]boronic acid can be summarised as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 49.69 Å2; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 74.49 cm3; (9)Molar Volume: 236.9 cm3; (10)Polarizability: 29.53×10-24cm3; (11)Surface Tension: 39.1 dyne/cm; (12)Density: 1.16 g/cm3; (13)Flash Point: 230.1 °C; (14)Enthalpy of Vaporization: 75.54 kJ/mol; (15)Boiling Point: 456.8 °C at 760 mmHg; (16)Vapour Pressure: 3.87E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)n2c1ccc(cc1cc2B(O)O)C
2.InChI: InChI=1/C14H18BNO4/c1-9-5-6-11-10(7-9)8-12(15(18)19)16(11)13(17)20-14(2,3)4/h5-8,18-19H,1-4H3
3.InChIKey: PEOOUPNYKOKTRH-UHFFFAOYAT

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