4-Hydroxy-2,7,8-trimethylquinoline - CAS 449199-19-3
Catalog: |
BB025730 |
Product Name: |
4-Hydroxy-2,7,8-trimethylquinoline |
CAS: |
449199-19-3 |
Synonyms: |
2,7,8-trimethyl-1H-quinolin-4-one |
IUPAC Name: | 2,7,8-trimethyl-1H-quinolin-4-one |
Description: | 4-Hydroxy-2,7,8-trimethylquinoline (CAS# 449199-19-3) is a useful research chemical. |
Molecular Weight: | 187.24 |
Molecular Formula: | C12H13NO |
Canonical SMILES: | CC1=C(C2=C(C=C1)C(=O)C=C(N2)C)C |
InChI: | InChI=1S/C12H13NO/c1-7-4-5-10-11(14)6-8(2)13-12(10)9(7)3/h4-6H,1-3H3,(H,13,14) |
InChI Key: | UXTKZNADIFVKBK-UHFFFAOYSA-N |
Boiling Point: | 321 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.084 g/cm3 |
LogP: | 2.86560 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2012190866-A1 | Antiviral compounds | 20070629 |
US-2013053577-A1 | Antiviral compounds | 20070629 |
US-2013274439-A1 | Antiviral compounds | 20070629 |
US-2014051626-A1 | Antiviral compounds | 20070629 |
US-8809266-B2 | Antiviral compounds | 20070629 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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