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114791-08-1 | 3H-Phenoxazin-3-one, 2-amino-4,4a-dihydro-4a,7-dimethyl-
CAS No: 114791-08-1 Catalog No: AG000F7C MDL No:
Product Description
Catalog Number:
AG000F7C
Chemical Name:
3H-Phenoxazin-3-one, 2-amino-4,4a-dihydro-4a,7-dimethyl-
CAS Number:
114791-08-1
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
2-amino-4a,7-dimethyl-4H-phenoxazin-3-one
InChI:
InChI=1S/C14H14N2O2/c1-8-3-4-10-12(5-8)18-14(2)7-11(17)9(15)6-13(14)16-10/h3-6H,7,15H2,1-2H3
InChI Key:
FLVFSJQMLPZSNG-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)OC1(C(=N2)C=C(C(=O)C1)N)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| An improved method for the rapid preparation of 2-amino-4,4a-dihydro-4a,7-dimethyl-3H-phenoxazine-3-one, a novel antitumor agent. | Bioorganic & medicinal chemistry letters 20010423 |
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