Basic information
- CAS
70516-51-7- Standard SMILES
CCCCCCN(CC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21- InChIKey
RYSOWSAJXSTJPE-UHFFFAOYSA-N- Molecular formula
- C35H36N2O3
- Average molar mass
- 532.7 g/mol
- Monoisotopic mass
- 532.27259301
Names & identifiers
- Preferred name
- Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)-
- IUPAC
- 2'-anilino-6'-[ethyl(hexyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 2'-Anilino-6'-(N-ethyl-N-hexylamino)-3'-methylspiro[phthalide-3,9'-[9H]xanthene]
- Molecular formula
- C35H36N2O3
- Molecular weight
- 532.67
Names & synonyms
3-(Ethylhexylamino)-6-methyl-7-anilinofluoranSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)-DTXSID90887246Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)-RefChem:888831DTXCID30102655170516-51-7RYSOWSAJXSTJPE-UHFFFAOYSA-NNS000069752'-Anilino-6'-[ethyl(hexyl)amino]-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one2'-Anilino-6'-(N-ethyl-N-hexylamino)-3'-methylspiro[phthalide-3,9'-[9H]xanthene]
Database identifiers
- CAS
70516-51-7- PubChem CID
- 112211
- DTXSID
DTXSID90887246- Nikkaji
- J60.957I
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 844
Physicochemical properties
- Boiling point
- 704.5 · 704.5±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.20(Predicted)
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)- (70516-51-7)
- 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, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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