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Structure

1-{2-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-ethyl}-piperidine

CAS
934586-49-9
Catalog Number
ACM934586499
Category
Other Products
Molecular Formula
C19H30BNO3

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  • Product Description
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What is the molecular formula of the compound with PubChem CID 44119397?

The molecular formula is C19H30BNO3.

What is the molecular weight of the compound?

The molecular weight is 331.3 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperidine.

What is the InChI key of the compound?

The InChI key is JKCDXXAFGMZLQJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the exact and monoisotopic mass of the compound?

The exact and monoisotopic mass is 331.2318740 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 30.9 Å^2.

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.

Upstream Synthesis Route 1

  • 540-38-5
  • 73183-34-3
  • 934586-49-9

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1712 - 1715

Upstream Synthesis Route 2

  • 2008-75-5
  • 269409-70-3
  • 934586-49-9

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1712 - 1715

Downstream Synthesis Route 1

  • 109084-42-6
  • 934586-49-9
  • 1427186-73-9

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1712 - 1715

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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