CAS
1287777-05-2 Purity
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1287777-05-2 Purity
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4-(Piperidin-1-ylmethyl)phenylboronic acid hydrochloride
CAS
1301198-10-6
Catalog Number
ACM1301198106
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C12H19BClNO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 255.55 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [4-(piperidin-1-ylmethyl)phenyl]boronic acid;hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H18BNO2.ClH/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7,15-16H,1-3,8-10H2;1H.
What is the InChIKey of the compound?
The InChIKey of the compound is TYCJJRQXPDMXAU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC=C(C=C1)CN2CCCCC2)(O)O.Cl.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the exact mass and monoisotopic mass of the compound?
The exact mass and monoisotopic mass of the compound is 255.1197367 g/mol.
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