CAS
913836-25-6 Purity
95%
913836-25-6 Purity
95%
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1-Piperidinecarboxylicacid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl ester
CAS
913836-28-9
Catalog Number
ACM913836289
Category
Other Products
Molecular Weight
331.22
Molecular Formula
C18H26BNO4
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Specification
Synonyms
913836-28-9, 4-[(Piperidin-1-ylcarbonyl)oxy]benzeneboronic acid, pinacol ester, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl piperidine-1-carboxylate, CTK8B3856, MolPort-001-769-068, ANW-43328, OR5967, AKOS016001240, AK-96227, KB-35163, 4-(Piperidine-1-carbonyloxy)phenylboronic acid pinacol ester, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl piperidine-1-carboxylate
IUPAC Name
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] piperidine-1-carboxylate
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(=O)N3CCCCC3
InChI Key
KDAWCRTUINGBQJ-UHFFFAOYSA-N
Boiling Point
443ºC at 760 mmHg
Flash Point
221.7ºC
Density
1.12g/cm³
Exact Mass
331.19500
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C18H26BNO4.
When was the compound first created according to the reference?
The compound was first created on July 21, 2009.
What is the IUPAC name of the compound?
The IUPAC name is [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] piperidine-1-carboxylate.
What is the canonical SMILES for the compound?
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(=O)N3CCCCC3.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 331.1954885 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 48 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to the reference.
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