Basic information
- CAS
509-77-3- Standard SMILES
Nc1ccc(C2(c3ccc(N)cc3)OC(=O)c3ccccc32)cc1- InChIKey
PLYHMRQAXIKUIV-UHFFFAOYSA-N- Molecular formula
- C20H16N2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12117776
Names & identifiers
- Preferred name
- Anilinephthalein
- IUPAC
- 3,3-bis(4-aminophenyl)-2-benzofuran-1-one
- English name
- 3,3-bis(4-aminophenyl)phthalide
- Molecular formula
- C20H16N2O2
- Molecular weight
- 316.35
Names & synonyms
Anilinephthalein509-77-31(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)-UNII-CYN5889K4FCYN5889K4FEINECS 208-105-5ANILINEPHTHALEIN [MI]DTXSID5060148BIS(4'-AMINOPHENYL)PHTHALIDE4,4'-PHTHALIDYLIDENEDIANILINE3,3-BIS(4-AMINOPHENYL)-1(3H)-ISOBENZOFURANONERefChem:112815
Show more names
3,3-bis(4-aminophenyl)isobenzofuran-1-one3,3-bis(4-azanylphenyl)-2-benzofuran-1-one4,4'-(3-Oxo-1,3-dihydroisobenzofuran-1,1-diyl)bisaniline
DTXCID8040931208-105-53,3-Bis(4-aminophenyl)phthalide3,3-bis(4-aminophenyl)-2-benzofuran-1(3H)-one3,3-bis(4-aminophenyl)-2-benzofuran-1-one3,3-Bis(4-aminophenyl)isobenzofuran-1(3H)-one3,3-Bis-(4-amino-phenyl)-3H-isobenzofuran-1-oneMLS001203706
Database identifiers
- CAS
509-77-3- PubChem CID
- 68183
- DTXSID
DTXSID5060148- ChEMBL
CHEMBL1348054- UNII
- CYN5889K4F
- EC Number
- 208-105-5
- Nikkaji
- J182.265I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
Solubility32.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 203 ° · 203°
- FDA UNII
- 5889 K4F · CYN5889K4F
- EPA Substance Registry System
- 1 · 1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)- (509-77-3)
- 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 Information1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)-: INACTIVE
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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