| CAS Number | 590390-31-1 |
| Catalog Number | AG01BDM2(AGN-PC-0SR416) |
| Chemical Name | Tert-butyl 5-methoxy-1,2,3,6-tetrahydropyrazine-1-carboxylate |
| IUPAC Name | tert-butyl 6-methoxy-3,5-dihydro-2H-pyrazine-4-carboxylate |
| InChI | InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-6-5-11-8(7-12)14-4/h5-7H2,1-4H3 |
| InChI Key | VATRKSAYTIKXFH-UHFFFAOYSA-N |
| MDL Number | MFCD15142965 |
| Molecular Formula | C10H18N2O3 |
| Molecular Weight | 214.2615 |
| SMILES | COC1CN(C(OC(C)(C)C)=O)CCN=1 |
| Synonyms | 590390-31-1,
tert-Butyl 5-methoxy-1,2,3,6-tetrahydropyrazine-1-carboxylate,
SCHEMBL1203213,
AKOS015995847,
ZINC113465867,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.265g/mol |
| Monoisotopic Mass | 214.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number