N-ethyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxymethyl]formamide

• ChemBase ID: 297826
• Molecular Formular: C16H24BNO4
• Molecular Mass: 305.17706
• Monoisotopic Mass: 305.17983865
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)OCN(CC)C=O
• Canonical SMILES: CCN(COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C=O
• InChI: InChI=1S/C16H24BNO4/c1-6-18(11-19)12-20-14-9-7-13(8-10-14)17-21-15(2,3)16(4,5)22-17/h7-11H,6,12H2,1-5H3
• InChIKey: HBAQZZIDIJRNFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxymethyl]formamide
• IUPAC Traditional name: N-ethyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxymethyl]formamide
• Synonyms: 4-(3-Hydroxy-n-propylaminocarbonyl)phenylboronic acid pinacol ester; 4-(3-Hydroxypropylcarbamoyl)benzeneboronic acid pinacol ester; 4-(3-羟基丙基氨甲酰基)苯硼酸频哪醇酯

Database IDs

• MDL Number: MFCD16294505
• PubChem SID: 180683357
• PubChem CID: 73995239

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5388
• LogD (pH = 7.4): 3.5388
• Log P: 3.5388
• Molar Refractivity: 79.5342 cm^3
• Polarizability: 33.250496 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%