7-Amino-2H-1,4-benzoxazin-3(4H)-one - CAS 26215-14-5
Catalog: |
BB019199 |
Product Name: |
7-Amino-2H-1,4-benzoxazin-3(4H)-one |
CAS: |
26215-14-5 |
Synonyms: |
7-amino-4H-1,4-benzoxazin-3-one; 7-amino-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7-amino-4H-1,4-benzoxazin-3-one |
Description: | 7-Amino-2H-1,4-benzoxazin-3(4H)-one (CAS# 26215-14-5 ) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C8H8N2O2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C=C(C=C2)N |
InChI: | InChI=1S/C8H8N2O2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4,9H2,(H,10,11) |
InChI Key: | RUZXDTHZHJTTRO-UHFFFAOYSA-N |
Boiling Point: | 434.8 ℃ at 760 mmHg |
Density: | 1.344 g/cm3 |
LogP: | 1.31890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020214728-A1 | Bicyclic and tricyclic compounds | 20190417 |
CN-113164476-A | Small molecule inhibitor of DYRK1/CLK and application thereof | 20180928 |
US-2020039989-A1 | Small molecule inhibitors of dyrk/clk and uses thereof | 20180301 |
CA-3056326-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20170314 |
EP-3596067-A1 | Pyrazole derivatives for the treatment of cystic fibrosis | 20170314 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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