| CAS Number | 1534378-15-8 |
| Catalog Number | AG01FRI1(AGN-PC-3H5PMO) |
| Chemical Name | tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[4-(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)25-14-12-18(13-15-25)24-17-10-8-16(9-11-17)23-28-21(4,5)22(6,7)29-23/h8-11,18,24H,12-15H2,1-7H3 |
| InChI Key | GMSOKHYUUMJRGM-UHFFFAOYSA-N |
| MDL Number | MFCD29763498 |
| Molecular Formula | C22H35BN2O4 |
| Molecular Weight | 402.3353 |
| SMILES | O=C(N1CCC(NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1)OC(C)(C)C |
| Synonyms | tert-butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)piperidine-1-carboxylate,
tert-butyl 4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino}piperidine-1-carboxylate,
SCHEMBL15556256,
GMSOKHYUUMJRGM-UHFFFAOYSA-N,
AS-74643,
1534378-15-8,
|
| Complexity | 558 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number