| CAS Number | 1402174-21-3 |
| Catalog Number | AG01EB44 |
| Chemical Name | Pyrimidine, 2-(4-methyl-1-piperidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | 2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
| InChI | InChI=1S/C16H26BN3O2/c1-12-6-8-20(9-7-12)14-18-10-13(11-19-14)17-21-15(2,3)16(4,5)22-17/h10-12H,6-9H2,1-5H3 |
| InChI Key | YHNZCXBZGYBPEU-UHFFFAOYSA-N |
| MDL Number | MFCD18761461 |
| Molecular Formula | C16H26BN3O2 |
| Molecular Weight | 303.2075 |
| SMILES | CC1(C)C(C)(C)OB(C2=CN=C(N3CCC(C)CC3)N=C2)O1 |
| Synonyms | 1402174-21-3,
AS-55454,
2-(4-Methylpiperidino)pyrimidine-5-boronic acid pinacol ester,
2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine,
Pyrimidine, 2-(4-methyl-1-piperidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.213g/mol |
| Monoisotopic Mass | 303.212g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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