3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran - CAS 36431-22-8
Catalog: |
BB044314 |
Product Name: |
3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran |
CAS: |
36431-22-8 |
Synonyms: |
3'-(Diethylamino)-6'-methyl-7'-(2,4-xylidino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one; 2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran; 6'-(Diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one; Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-; 6'-(Diethylamino)-2'-[(dimethylphenyl) amino]-3'-methylspiro [isobenzofuran-1(3H),9'-[9H]xanthene]-3-one; Black-15 |
IUPAC Name: | 6'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one |
Description: | 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran (CAS# 36431-22-8 ) is a useful research chemical. |
Molecular Weight: | 504.62 |
Molecular Formula: | C33H32N2O3 |
Canonical SMILES: | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=C(C=C(C=C6)C)C)C |
InChI: | InChI=1S/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3 |
InChI Key: | GFGSEGIRJFDXFP-UHFFFAOYSA-N |
Complexity: | 846 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 504.24129289 |
Formal Charge: | 0 |
Heavy Atom Count: | 38 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 504.24129289 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 50.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.6 |
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