3-((N-boc-amino)methyl)phenylboronic acid

• CAS: 199609-62-6
• Catalog Number: ACM199609626
• Category: Boro-Amino Acids
• Molecular Weight: 251.09
• Molecular Formula: C₁₂H₁₈BNO₄
• Synonyms: BM554, 3-((N-Boc-amino)methyl)phenylboronic acid, 199609-62-6
• IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)(O)O
• InChI Key: YHAQUGOSDQZIMA-UHFFFAOYSA-N
• Melting Point: 188-190ºC
• Density: 1.15g/cm³
• Exact Mass: 251.13300
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 3-((N-boc-amino)methyl)phenylboronic acid?

The molecular formula of 3-((N-boc-amino)methyl)phenylboronic acid is C12H18BNO4.

What is the molecular weight of 3-((N-boc-amino)methyl)phenylboronic acid?

The molecular weight of 3-((N-boc-amino)methyl)phenylboronic acid is 251.09 g/mol.

What is the IUPAC name of 3-((N-boc-amino)methyl)phenylboronic acid?

The IUPAC name of 3-((N-boc-amino)methyl)phenylboronic acid is [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid.

What is the InChI of 3-((N-boc-amino)methyl)phenylboronic acid?

The InChI of 3-((N-boc-amino)methyl)phenylboronic acid is InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15).

How many hydrogen bond donor counts are there in 3-((N-boc-amino)methyl)phenylboronic acid?

There are 3 hydrogen bond donor counts in 3-((N-boc-amino)methyl)phenylboronic acid.

What is the exact mass of 3-((N-boc-amino)methyl)phenylboronic acid?

The exact mass of 3-((N-boc-amino)methyl)phenylboronic acid is 251.1328882 g/mol.

How many rotatable bond counts are there in 3-((N-boc-amino)methyl)phenylboronic acid?

There are 5 rotatable bond counts in 3-((N-boc-amino)methyl)phenylboronic acid.

What is the topological polar surface area of 3-((N-boc-amino)methyl)phenylboronic acid?

The topological polar surface area of 3-((N-boc-amino)methyl)phenylboronic acid is 78.8Ų.

Is 3-((N-boc-amino)methyl)phenylboronic acid a canonicalized compound?

Yes, 3-((N-boc-amino)methyl)phenylboronic acid is a canonicalized compound.

How many covalently-bonded unit counts are there in 3-((N-boc-amino)methyl)phenylboronic acid?

There is 1 covalently-bonded unit count in 3-((N-boc-amino)methyl)phenylboronic acid.