CAS
91045-36-2 Purity
96%
91045-36-2 Purity
96%
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1-Methyl-4-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-ethyl}-piperazine
CAS
910462-34-9
Catalog Number
ACM910462349
Category
Other Products
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What is the molecular formula of the compound?
The molecular formula of the compound is C19H31BN2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 346.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C19H31BN2O3/c1-18(2)19(3,4)25-20(24-18)16-6-8-17(9-7-16)23-15-14-22-12-10-21(5)11-13-22/h6-9H,10-15H2,1-5H3.
What is the InChIKey of the compound?
The InChIKey of the compound is WSCWCKAPDGWCOS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCN3CCN(CC3)C.
What is the CAS number of the compound?
The CAS number of the compound is 910462-34-9.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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