3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid pinacol ester

• CAS: 840521-76-8
• Catalog Number: ACM840521768
• Category: Other
• Molecular Weight: 318.22
• Molecular Formula: C₁₇H₂₇BN₂O₃
• Synonyms: 840521-76-8, N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, n-[2-(n,n-dimethylamino)ethyl]benzamide-3-boronic acid, pinacol ester, N-(2-(Dimethylamino)ethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, AC1MBYB3, SureCN1679566, CTK5F1744, MolPort-000-154-727, ANW-54916, AKOS015960134, AB22922, AG-H-35721, AK-84297, FT-0644894, B-4155, A840708, N-(2-Dimethylaminoethyl)-3-(4,4,5,5-tetramethyl), 3-(2-(DIMETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, PINACOL ESTER, 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester,
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCCN(C)C
• InChI Key: KQUHTIHQDGBEMM-UHFFFAOYSA-N
• Boiling Point: 454.6ºC at 760 mmHg
• Flash Point: 228.8ºC
• 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 molecular weight of the compound?

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

What is the IUPAC name of the compound?

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

What is the CAS number of the compound?

The CAS number of the compound is 840521-76-8.

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 topological polar surface area of the compound?

The topological polar surface area of the compound is 50.8 Ų.

How many heavy atom counts does the compound have?

The compound has 23 heavy atom counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.