Basic information
- CAS
24460-07-9- Standard SMILES
CCN(CC)c1ccc2c(c1)Oc1ccc(NC)cc1C21OC(=O)c2ccccc21- InChIKey
YDRFEYUCIQSKNK-UHFFFAOYSA-N- Molecular formula
- C25H24N2O3
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.17869263
Names & identifiers
- Preferred name
- 6'-(Diethylamino)-2'-(methylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
- IUPAC
- 6'-(diethylamino)-2'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 6'-(diethylamino)-2'-(methylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
- Molecular formula
- C25H24N2O3
- Molecular weight
- 400.47
Names & synonyms
24460-07-96'-(diethylamino)-2'-(methylamino)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-oneEINECS 246-271-0SCHEMBL11682974DTXSID70947337YDRFEYUCIQSKNK-UHFFFAOYSA-NSTL326558AKOS0221127096'-(Diethylamino)-2'-(methylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-oneNS000492896'-(Diethylamino)-2'-(methylamino)-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one6'-(diethylamino)-2'-(methylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
Show more names
3-N,N-Diethylamino-7-methylfluorene6-Diethylamino-2-methylaminofluoran6'-(Diethylamino)-2'-methylaminospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one6'-(diethylamino)-2'-(methylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(methylamino)-
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 638
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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