| CAS Number | 1704064-31-2 |
| Catalog Number | AG00ARP9(AGN-PC-0WCROP) |
| Chemical Name | (4-methyl-3-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)boronic acid |
| IUPAC Name | [4-methyl-3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]boronic acid |
| InChI | InChI=1S/C15H25BN2O3/c1-13-4-5-14(16(19)20)12-15(13)21-11-3-6-18-9-7-17(2)8-10-18/h4-5,12,19-20H,3,6-11H2,1-2H3 |
| InChI Key | HOLVQFCYTSHUEA-UHFFFAOYSA-N |
| MDL Number | MFCD28384332 |
| Molecular Formula | C15H25BN2O3 |
| Molecular Weight | 292.1816 |
| SMILES | OB(C1=CC=C(C)C(OCCCN2CCN(C)CC2)=C1)O |
| Synonyms | 1704064-31-2,
4-methyl-3-(3-(4-methylpiperazin-1-yl)propoxy)phenylboronic acid,
(4-methyl-3-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)boronic acid,
MFCD28384332,
AKOS025286267,
ZINC230529169,
AM87705,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.186g/mol |
| Monoisotopic Mass | 292.196g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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