7-amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one - CAS 130137-40-5
Catalog: |
BB054781 |
Product Name: |
7-amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
CAS: |
130137-40-5 |
Synonyms: |
7-Amino-2,4-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
IUPAC Name: | 7-amino-2,4-dimethyl-1,4-benzoxazin-3-one |
Molecular Weight: | 192.21 |
Molecular Formula: | C10H12N2O2 |
Canonical SMILES: | CC1C(=O)N(C2=C(O1)C=C(C=C2)N)C |
InChI: | InChI=1S/C10H12N2O2/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,11H2,1-2H3 |
InChI Key: | OIQGECPSMWFOCC-UHFFFAOYSA-N |
Boiling Point: | 470.3ºC at 760 mmHg |
Purity: | 95% |
Density: | 1.223g/cm3 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.08987763 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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