1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline - CAS 22190-40-5
Catalog: |
BB017446 |
Product Name: |
1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline |
CAS: |
22190-40-5 |
Synonyms: |
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone; 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone |
IUPAC Name: | 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone |
Description: | 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline (CAS# 22190-40-5) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 254.12 |
Molecular Formula: | C11H12BrNO |
Canonical SMILES: | CC(=O)N1CCCC2=C1C=CC(=C2)Br |
InChI: | InChI=1S/C11H12BrNO/c1-8(14)13-6-2-3-9-7-10(12)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3 |
InChI Key: | BHQKJGRWIRTURN-UHFFFAOYSA-N |
Boiling Point: | 436.5 °C at 760 mmHg |
Density: | 1.454 g/cm3 |
LogP: | 2.81320 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019213570-A1 | Cancer treatments targeting cancer stem cells | 20180504 |
CN-112312899-A | Cancer therapy targeting cancer stem cells | 20180504 |
EP-3787612-A1 | Cancer treatments targeting cancer stem cells | 20180504 |
KR-20210015833-A | Cancer treatment targeting cancer stem cells | 20180504 |
WO-2018111805-A1 | Tetrahydroquinoline-based bromodomain inhibitors | 20161213 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.01023 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.01023 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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