| CAS Number | 927800-44-0 |
| Catalog Number | AG00H0D3 |
| Chemical Name | 7-Bromo-4-(piperazin-1-yl)quinoline |
| IUPAC Name | 7-bromo-4-piperazin-1-ylquinoline |
| InChI | InChI=1S/C13H14BrN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 |
| InChI Key | PTQFNLSRKXEDPB-UHFFFAOYSA-N |
| MDL Number | MFCD02179801 |
| Molecular Formula | C13H14BrN3 |
| Molecular Weight | 292.1744 |
| SMILES | Brc1ccc2c(c1)nccc2N1CCNCC1 |
| Synonyms | 7-Bromo-4-(piperazin-1-yl)quinoline,
927800-44-0,
CTK8E5489,
DTXSID10589210,
ZINC2577926,
MFCD02179801,
AKOS002683283,
AB11440,
OR309251,
DB-079399,
RT-010781,
FT-0710579,
T6762,
UX00001734,
7-Bromo-4-(piperazin-1-yl)quinoline, AldrichCPR,
7-BROMO-4- QUINOLINE,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.18g/mol |
| Monoisotopic Mass | 291.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number