| CAS Number | 913835-43-5 |
| Catalog Number | AG003BTV(AGN-PC-0713DH) |
| Chemical Name | N-4-Methylpiperazinyl 4-boronobenzamide, HCl |
| IUPAC Name | [4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C12H18BN3O3.ClH/c1-15-6-8-16(9-7-15)14-12(17)10-2-4-11(5-3-10)13(18)19;/h2-5,18-19H,6-9H2,1H3,(H,14,17);1H |
| InChI Key | DPTCRDJSYQTDGH-UHFFFAOYSA-N |
| MDL Number | MFCD09027217 |
| Molecular Formula | C12H18BClN2O3 |
| Molecular Weight | 284.5469 |
| SMILES | Cl.O=C(C1=CC=C(C=C1)B(O)O)N2CCN(C)CC2 |
| Synonyms | 913835-43-5,
(4-((4-Methylpiperazin-1-yl)carbamoyl)phenyl)boronic acid hydrochloride,
(4-((4-Methylpiperazin-1-yl)carbamoyl)-phenyl)boronic acid hydrochloride,
C12H17BN2O3.ClH,
ANW-44041,
AKOS015888907,
RTR-028637,
AX8231639,
N-4-Methylpiperazinyl 4-boronobenzamide HCl,
V9000,
N4-methylpiperazinyl 4-boronobenzamide hydrochloride,
I01-16301,
ACN-042815,
N-4-Methylpiperazinyl 4-boronobenzamide hydrochloride,
4-(4-Methylpiperazine-1-carbonyl)benzeneboronic acid hydrochloride,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.562g/mol |
| Monoisotopic Mass | 299.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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UN Code
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Certificate of Analysis
Lot Number