4-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester

• CAS: 832114-06-4
• Catalog Number: ACM832114064
• Category: Other
• Molecular Weight: 330.23
• Molecular Formula: C₁₈H₂₇BN₂O₃
• Synonyms: 832114-06-4, (4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone, 4-(4-methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester, (4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone, (4-methyl-piperazine-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-methanone, (4-METHYLPIPERAZINE-1-YL)[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHANONE, AC1MC1RD, SureCN578389, AMTB026, CTK5F0478, MolPort-000-157-459, MAY00022, ANW-37663, AKOS015960067, AB22714, AG-H-32399, AK-84291, KB-34499, KB-88849, FT-0644888
• IUPAC Name: (4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C
• InChI Key: TXCDVBDHDQAWLR-UHFFFAOYSA-N
• Boiling Point: 463.3ºC at 760 mmHg
• Melting Point: 110-113ºC
• Flash Point: 234ºC
• Density: 1.12g/cm³
• Exact Mass: 330.21100
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 4-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester?

The molecular formula is C18H27BN2O3.

What is the molecular weight of 4-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester?

The molecular weight is 330.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone.

What is the InChIKey of the compound?

The InChIKey is TXCDVBDHDQAWLR-UHFFFAOYSA-N.

How many hydrogen bond donor count does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 4 hydrogen bond acceptor count.

What is the exact mass of the compound?

The exact mass of the compound is 330.2114729 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 42Ų.

How many heavy atoms are present in the compound?

There are 24 heavy atoms present in the compound.

Is the compound canonicalized?

Yes, the compound is canonicalized.