| CAS Number | 622386-08-7 |
| Catalog Number | AG00F986(AGN-PC-0T3D9E) |
| Chemical Name | 1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER |
| IUPAC Name | tert-butyl 4-(5-bromopyrazin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C13H19BrN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-10(14)8-16-11/h8-9H,4-7H2,1-3H3 |
| InChI Key | BOSDHRPQGUJQLK-UHFFFAOYSA-N |
| MDL Number | MFCD11521572 |
| Molecular Formula | C13H19BrN4O2 |
| Molecular Weight | 343.2196 |
| SMILES | BrC=1N=CC(=NC1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 622386-08-7,
TERT-BUTYL 4-(5-BROMOPYRAZIN-2-YL)PIPERAZINE-1-CARBOXYLATE,
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER,
SCHEMBL3294544,
BOSDHRPQGUJQLK-UHFFFAOYSA-N,
ZINC95775359,
MB09948,
2-BROMO-5-(N-BOC-PIPERAZIN-1-YL)PYRAZINE,
tert-Butyl-4-(5-bromopyrazin-2-yl)piperazine-1-carboxylate,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.225g/mol |
| Monoisotopic Mass | 342.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number