4-Hydroxy-8-methoxyquinazoline - CAS 16064-27-0
Catalog: |
BB011654 |
Product Name: |
4-Hydroxy-8-methoxyquinazoline |
CAS: |
16064-27-0 |
Synonyms: |
8-methoxy-3H-quinazolin-4-one; 8-methoxy-3H-quinazolin-4-one |
IUPAC Name: | 8-methoxy-3H-quinazolin-4-one |
Description: | 4-Hydroxy-8-methoxyquinazoline (CAS# 16064-27-0) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC1=CC=CC2=C1N=CNC2=O |
InChI: | InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)10-5-11-9(6)12/h2-5H,1H3,(H,10,11,12) |
InChI Key: | CKBSLDWXPYMOIT-UHFFFAOYSA-N |
LogP: | 0.93170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015155306-A1 | New trpa1 antagonists | 20140411 |
JP-2015007029-A | Method for producing optically active isoxazoline compound | 20130527 |
EP-2938600-B1 | Comt inhibitors | 20121227 |
KR-101685862-B1 | Comt inhibitors | 20121227 |
KR-20150088884-A | Comt inhibitors | 20121227 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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