4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine

• ChemBase ID: 290904
• Molecular Formular: C16H20BNO2
• Molecular Mass: 269.1465
• Monoisotopic Mass: 269.15870929
• SMILES: Nc1c2ccccc2c(B2OC(C)(C)C(C)(C)O2)cc1
• Canonical SMILES: Nc1ccc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)13-9-10-14(18)12-8-6-5-7-11(12)13/h5-10H,18H2,1-4H3
• InChIKey: YAQGFMZVTUQUSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
• IUPAC Traditional name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
• Synonyms: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine

Database IDs

• CAS Number: 1218790-22-7
• PubChem SID: 180676435
• PubChem CID: 53217195

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1185656
• LogD (pH = 7.4): 4.1193895
• Log P: 4.1194
• Molar Refractivity: 76.8637 cm^3
• Polarizability: 32.70925 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%