| CAS Number | 1704064-32-3 |
| Catalog Number | AG00ARPB(AGN-PC-0WCROQ) |
| Chemical Name | (4-methyl-3-(3-(piperazin-1-yl)propoxy)phenyl)boronic acid |
| IUPAC Name | [4-methyl-3-(3-piperazin-1-ylpropoxy)phenyl]boronic acid |
| InChI | InChI=1S/C14H23BN2O3/c1-12-3-4-13(15(18)19)11-14(12)20-10-2-7-17-8-5-16-6-9-17/h3-4,11,16,18-19H,2,5-10H2,1H3 |
| InChI Key | ONNKKYPAZMNVQD-UHFFFAOYSA-N |
| MDL Number | MFCD28384333 |
| Molecular Formula | C14H23BN2O3 |
| Molecular Weight | 278.1550 |
| SMILES | OB(c1ccc(c(c1)OCCCN1CCNCC1)C)O |
| Synonyms | 1704064-32-3,
4-methyl-3-(3-(piperazin-1-yl)propoxy)phenylboronic acid,
(4-methyl-3-(3-(piperazin-1-yl)propoxy)phenyl)boronic acid,
MFCD28384333,
ZINC230529222,
AM87703,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.159g/mol |
| Monoisotopic Mass | 278.18g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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