| CAS Number | 1385016-81-8 |
| Catalog Number | AG01FRI9(AGN-PC-3H5PN3) |
| Chemical Name | tert-butyl 4-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]piperidine-1-carboxylate |
| InChI | InChI=1S/C22H35BN2O4/c1-20(2,3)27-19(26)25-13-11-17(12-14-25)24-18-10-8-9-16(15-18)23-28-21(4,5)22(6,7)29-23/h8-10,15,17,24H,11-14H2,1-7H3 |
| InChI Key | SDPXBZZSEDIBRA-UHFFFAOYSA-N |
| MDL Number | MFCD32206567 |
| Molecular Formula | C22H35BN2O4 |
| Molecular Weight | 402.3353 |
| SMILES | O=C(N1CCC(NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2)CC1)OC(C)(C)C |
| Synonyms | SCHEMBL5315321,
AS-74696,
1385016-81-8,
tert-butyl 4-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino}piperidine-1-carboxylate,
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| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.268988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.3g/mol |
| Monoisotopic Mass | 402.268988g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number