Basic information
- CAS
72829-10-8- Standard SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(C)c(N(CC)CC)cc1C21OC(=O)c2ccccc21- InChIKey
KOZJMQQDRDPMTR-UHFFFAOYSA-N- Molecular formula
- C29H32N2O3
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.24129289
Names & identifiers
- Preferred name
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',6'-bis(diethylamino)-3'-methyl-
- IUPAC
- 2',6'-bis(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 2',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
- Molecular formula
- C29H32N2O3
- Molecular weight
- 456.58
Names & synonyms
EINECS 276-902-5Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',6'-bis(diethylamino)-3'-methyl-DTXSID70887805Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',6'-bis(diethylamino)-3'-methyl-RefChem:888755DTXCID90102709072829-10-8KOZJMQQDRDPMTR-UHFFFAOYSA-N2',6'-bis(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one2',6'-Bis(diethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one2',6'-Bis(diethylamino)-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one2',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
Show more names
2',6'-Bis(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 722
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',6'-bis(diethylamino)-3'-methyl- (72829-10-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',6'-bis(diethylamino)-3'-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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