Basic information
- CAS
70516-49-3- Standard SMILES
CCCCCCN(C)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21- InChIKey
GXIGURDYXJAEFF-UHFFFAOYSA-N- Molecular formula
- C34H34N2O3
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.25694295
Names & identifiers
- Preferred name
- Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(hexylmethylamino)-3'-methyl-2'-(phenylamino)-
- IUPAC
- 2'-anilino-6'-[hexyl(methyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 6'-[Methyl(hexyl)amino]-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
- Molecular formula
- C34H34N2O3
- Molecular weight
- 518.65
Names & synonyms
3-(Methylhexylamino)-6-methyl-7-anilinofluoranSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(hexylmethylamino)-3'-methyl-2'-(phenylamino)-DTXSID30887245Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(hexylmethylamino)-3'-methyl-2'-(phenylamino)-RefChem:888832DTXCID60102655070516-49-3GXIGURDYXJAEFF-UHFFFAOYSA-N2'-Anilino-6'-[hexyl(methyl)amino]-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one6'-[Methyl(hexyl)amino]-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Database identifiers
- CAS
70516-49-3- PubChem CID
- 112210
- DTXSID
DTXSID30887245- Nikkaji
- J441.342C
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 829
Physicochemical properties
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(hexylmethylamino)-3'-methyl-2'-(phenylamino)- (70516-49-3)
- 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'-(hexylmethylamino)-3'-methyl-2'-(phenylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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