9-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-9H-carbazole

• ChemBase ID: 295002
• Molecular Formular: C20H24BNO2
• Molecular Mass: 321.22106
• Monoisotopic Mass: 321.19000941
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCn1c2ccccc2c2c1cccc2
• Canonical SMILES: CC1(C)OB(OC1(C)C)CCn1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H24BNO2/c1-19(2)20(3,4)24-21(23-19)13-14-22-17-11-7-5-9-15(17)16-10-6-8-12-18(16)22/h5-12H,13-14H2,1-4H3
• InChIKey: NTUZDLWSQJRXAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-9H-carbazole
• IUPAC Traditional name: 9-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]carbazole
• Synonyms: 2-(9-Carbazolyl)ethylboronic acid pinacol ester; 2-(9H-咔唑基)乙基硼酸 频哪醇 酯

Database IDs

• CAS Number: 608534-41-4
• MDL Number: MFCD03788738
• PubChem SID: 180680533
• PubChem CID: 45925651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5808
• LogD (pH = 7.4): 5.5808
• Log P: 5.5808
• Molar Refractivity: 92.0878 cm^3
• Polarizability: 40.47463 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 111-113°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%