| CAS Number | 1250994-01-4 |
| Catalog Number | AG00HHX7(AGN-PC-0WG4LD) |
| Chemical Name | 9-Oxo-octahydro-pyrazino[1,2-a]pyrazine-2-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate |
| InChI | InChI=1S/C12H21N3O3/c1-12(2,3)18-11(17)15-7-6-14-5-4-13-10(16)9(14)8-15/h9H,4-8H2,1-3H3,(H,13,16) |
| InChI Key | WBICUXWLVLRGDT-UHFFFAOYSA-N |
| MDL Number | MFCD18792511 |
| Molecular Formula | C12H21N3O3 |
| Molecular Weight | 255.3134 |
| SMILES | CC(C)(C)OC(=O)N1CCN2CCNC(=O)C2C1 |
| Synonyms | 1250994-01-4,
9-Oxo-octahydro-pyrazino[1,2-a]pyrazine-2-carboxylic acid tert-butyl ester,
tert-Butyl 9-oxohexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate,
SCHEMBL20231034,
MFCD18792511,
AM805491,
CS-0036507,
9-Oxo-octahydro-pyrazino[1,2-a]pyrazine-2-carboxylic acid t-butyl ester,
tert-Butyl 9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.318g/mol |
| Monoisotopic Mass | 255.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number