4-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid pinacol ester

• CAS: 832114-11-1
• Catalog Number: ACM832114111
• Category: Other
• Molecular Weight: 318.22
• Molecular Formula: C₁₇H₂₇BN₂O₃
• Synonyms: 832114-11-1, N-(2-dimethylaminoethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, n-[2-(n,n-dimethylamino)ethyl]benzamide-4-boronic acid, pinacol ester, AC1MBYB6, SureCN473754, AMTB351, CTK5F0482, MolPort-000-154-728, ANW-56087, AKOS015960079, AB22755, AG-H-32404, AK-36493, KB-33583, FT-0644890, B-4235, A840535, N-(2-Dimethylaminoethyl)-4-(4,4,5,5-tetramethyl-, 4-(2-(Dimethylamino)ethyl carbamoyl)phenylboronic acid pinacol ester, 4-(2-(DIMETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, PINACOL ESTER
• IUPAC Name: N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NCCN(C)C
• InChI Key: KTDBEJMIGCLCSU-UHFFFAOYSA-N
• Boiling Point: 457.5ºC at 760 mmHg
• Melting Point: 100-104ºC
• Flash Point: 230.5ºC
• Density: 1.07g/cm³
• Exact Mass: 318.21100
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C17H27BN2O3.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-13(8-10-14)15(21)19-11-12-20(5)6/h7-10H,11-12H2,1-6H3,(H,19,21).

What is the InChIKey of the compound?

The InChIKey of the compound is KTDBEJMIGCLCSU-UHFFFAOYSA-N.

What is the molecular weight of the compound?

The molecular weight of the compound is 318.2 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 5 rotatable bond counts.

What is the exact mass of the compound?

The exact mass of the compound is 318.2114729 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.