| CAS Number | 906559-32-8 |
| Catalog Number | AG00IG8X(AGN-PC-0WB0P0) |
| Chemical Name | tert-Butyl 4-(3-bromo-5-(methoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-bromo-5-methoxycarbonylpyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H22BrN3O4/c1-16(2,3)24-15(22)20-7-5-19(6-8-20)13-12(17)9-11(10-18-13)14(21)23-4/h9-10H,5-8H2,1-4H3 |
| InChI Key | DSYBQUHXJQHJLU-UHFFFAOYSA-N |
| MDL Number | MFCD09865015 |
| Molecular Formula | C16H22BrN3O4 |
| Molecular Weight | 400.2676 |
| SMILES | [Br]C1(=C(N=CC(=C1)C(=O)OC)N2(CCN(C(=O)OC(C)(C)C)CC2)) |
| Synonyms | 906559-32-8,
TERT-BUTYL 4-[3-BROMO-5-(METHOXYCARBONYL)-2-PYRIDINYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE,
tert-butyl 4-[3-bromo-5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate,
tert-Butyl 4-(3-bromo-5-(methoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate,
SCHEMBL10306676,
CTK6J0970,
DTXSID10651406,
KS-000027FR,
ZX-AT012764,
MFCD09865015,
ZINC19851232,
AKOS005073308,
LB-0715,
OR14813,
RP17187,
AJ-75446,
TR-065184,
4-[3-Bromo-5-(methoxycarbonyl)pyridin-2-yl]piperazine, N1-BOC protected,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.273g/mol |
| Monoisotopic Mass | 399.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number