CAS
913388-61-1 Purity
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913388-61-1 Purity
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![2-Borono-5-[[4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1-piperidinyl]methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester](https://resource.alfa-chemistry.com/structure/913388-71-3.gif)
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1H-Indole-1-carboxylic acid,2-borono-5-[2-(1-piperidinyl)ethoxy]-,1-(1,1-dimethylethyl)ester
CAS
913388-68-8
Catalog Number
ACM913388688
Category
Other Products
Molecular Formula
C20H29BN2O5
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Specification
Synonyms
1H-Indole-1-carboxylic acid, 2-borono-5-[2-(1-piperidinyl)ethoxy]-, 1-(1,1-dimethylethyl) ester
What is the molecular formula of 1H-Indole-1-carboxylic acid, 2-borono-5-[2-(1-piperidinyl)ethoxy]-,1-(1,1-dimethylethyl)ester?
The molecular formula is C20H29BN2O5.
What is the molecular weight of 1H-Indole-1-carboxylic acid, 2-borono-5-[2-(1-piperidinyl)ethoxy]-,1-(1,1-dimethylethyl)ester?
The molecular weight is 388.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-piperidin-1-ylethoxy)indol-2-yl]boronic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C20H29BN2O5/c1-20(2,3)28-19(24)23-17-8-7-16(13-15(17)14-18(23)21(25)26)27-12-11-22-9-5-4-6-10-22/h7-8,13-14,25-26H,4-6,9-12H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey is VNMLTLGNTFIWHU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OCCN3CCCCC3)(O)O.
What is the CAS number of the compound?
The CAS number is 913388-68-8.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count is 6.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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