6-Bromo-4-(piperazin-1-yl)quinoline - CAS 474707-24-9
Catalog: |
BB026299 |
Product Name: |
6-Bromo-4-(piperazin-1-yl)quinoline |
CAS: |
474707-24-9 |
Synonyms: |
6-bromo-4-piperazin-1-ylquinoline |
IUPAC Name: | 6-bromo-4-piperazin-1-ylquinoline |
Description: | 6-Bromo-4-(piperazin-1-yl)quinoline (CAS# 474707-24-9) is a useful research chemical. |
Molecular Weight: | 292.17 |
Molecular Formula: | C13H14BrN3 |
Canonical SMILES: | C1CN(CCN1)C2=C3C=C(C=CC3=NC=C2)Br |
InChI: | InChI=1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 |
InChI Key: | BBICIXDOMKPLKH-UHFFFAOYSA-N |
Boiling Point: | 451.773 °C at 760 mmHg |
Density: | 1.452 g/cm3 |
LogP: | 2.80070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | 20010426 |
EP-1382603-B1 | Nitrogenous fused-ring compound having pyrazolyl group as substituent and medicinal composition thereof | 20010426 |
EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | 20010426 |
JP-4310109-B2 | Nitrogen-containing fused ring compound having pyrazolyl group as substituent and pharmaceutical composition thereof | 20010426 |
JP-WO2002088107-A1 | Nitrogen-containing fused ring compound having pyrazolyl group as a substituent and pharmaceutical composition thereof | 20010426 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.03711 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.03711 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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