| CAS Number | 1021268-12-1 |
| Catalog Number | AG0006O3(AGN-PC-0BGIDK) |
| Chemical Name | 4-[5-Bromo-4-(morpholin-4-yl)pyrimidin-2-yl]morpholine |
| IUPAC Name | 4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)morpholine |
| InChI | InChI=1S/C12H17BrN4O2/c13-10-9-14-12(17-3-7-19-8-4-17)15-11(10)16-1-5-18-6-2-16/h9H,1-8H2 |
| InChI Key | SXTDZEPZODMMLC-UHFFFAOYSA-N |
| MDL Number | MFCD20491451 |
| Molecular Formula | C12H17BrN4O2 |
| Molecular Weight | 329.1930 |
| SMILES | Brc1cnc(nc1N1CCOCC1)N1CCOCC1 |
| Synonyms | 4-[5-Bromo-4-(morpholin-4-yl)pyrimidin-2-yl]morpholine,
1021268-12-1,
ACMC-20980d,
CTK8A9028,
DTXSID80718434,
ANW-14651,
MFCD20491451,
ZINC24628821,
AKOS025394068,
TC-103396,
Z6504,
K-0287,
4,4'-(5-Bromopyrimidine-2,4-diyl)bis(morpholine),
Morpholine, 4,4'-(5-bromo-2,4-pyrimidinediyl)bis-,
C12H17BrN4O2,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.198g/mol |
| Monoisotopic Mass | 328.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number