6-Amino-2H-1,4-benzoxazin-3(4H)-one - CAS 89976-75-0
Catalog: |
BB039719 |
Product Name: |
6-Amino-2H-1,4-benzoxazin-3(4H)-one |
CAS: |
89976-75-0 |
Synonyms: |
6-amino-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-amino-4H-1,4-benzoxazin-3-one |
Description: | 6-Amino-2H-1,4-benzoxazin-3(4H)-one (CAS# 89976-75-0) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C8H8N2O2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C=CC(=C2)N |
InChI: | InChI=1S/C8H8N2O2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11) |
InChI Key: | GEPGYMHEMLZMBC-UHFFFAOYSA-N |
Boiling Point: | 429.2 ℃ at 760 mmHg |
Melting Point: | 266-268 ℃ |
Purity: | 95 % |
Density: | 1.344 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03425742 |
LogP: | 1.31890 |
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-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
JP-2020011976-A | Method for producing 6-amino-2H-1,4-benzoxazin-3 (4H) -ones | 20190918 |
JP-2018135315-A | Process for producing 6-amino-2H-1,4-benzoxazin-3 (4H) -ones | 20171102 |
CN-110997748-A | Curable composition comprising an epoxy resin and a curable solid filler | 20170731 |
EP-3661990-A1 | Curable composition including epoxy resin and curable solid filler | 20170731 |
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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Amines and Anilines
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