| CAS Number | 1187386-39-5 |
| Catalog Number | AG003CWB(AGN-PC-07XUMP) |
| Chemical Name | 3-Bromo-2-(4-Ethylpiperazino)-5-Methylpyridine |
| IUPAC Name | 1-(3-bromo-5-methylpyridin-2-yl)-4-ethylpiperazine |
| InChI | InChI=1S/C12H18BrN3/c1-3-15-4-6-16(7-5-15)12-11(13)8-10(2)9-14-12/h8-9H,3-7H2,1-2H3 |
| InChI Key | RLXHWKLZSIIZPG-UHFFFAOYSA-N |
| MDL Number | MFCD12913990 |
| Molecular Formula | C12H18BrN3 |
| Molecular Weight | 284.1954 |
| SMILES | BrC1=CC(C)=CN=C1N1CCN(CC)CC1 |
| Synonyms | 1187386-39-5,
1-(3-Bromo-5-methylpyridin-2-yl)-4-ethylpiperazine,
3-Bromo-2-(4-ethylpiperazino)-5-methylpyridine,
ACMC-2099zu,
CTK4B0874,
DTXSID00675393,
ANW-17224,
MFCD12913990,
ZINC38537907,
AKOS015834403,
AJ-96269,
AX8230299,
ST2403141,
TR-034306,
Z8018,
A-5320,
I02-3122,
C12H18BrN3,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.201g/mol |
| Monoisotopic Mass | 283.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 19.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number