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

• ChemBase ID: 291120
• Molecular Formular: C18H24BNO2
• Molecular Mass: 297.19966
• Monoisotopic Mass: 297.19000941
• SMILES: CC1(C)C(C)(C)OB(c2c3ccccc3c(N(C)C)cc2)O1
• Canonical SMILES: CN(c1ccc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C18H24BNO2/c1-17(2)18(3,4)22-19(21-17)15-11-12-16(20(5)6)14-10-8-7-9-13(14)15/h7-12H,1-6H3
• InChIKey: JXQGIGJKFBLRGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1007126-41-1
• MDL Number: MFCD18087705
• PubChem SID: 180676651
• PubChem CID: 53216762

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1619225
• LogD (pH = 7.4): 5.166936
• Log P: 5.167
• Molar Refractivity: 86.5919 cm^3
• Polarizability: 36.402016 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%