Basic information
- CAS
5339-80-0- Standard SMILES
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3ccccc32)cc1- InChIKey
QUINKWASVQHVID-UHFFFAOYSA-N- Molecular formula
- C24H24N2O2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18377801
Names & identifiers
- Preferred name
- 3,3-Bis(4-(dimethylamino)phenyl)phthalide
- IUPAC
- 3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
- English name
- 3,3-bis[4-(dimethylamino)phenyl]phthalide
- Molecular formula
- C24H24N2O2
- Molecular weight
- 372.45956
Names & synonyms
5339-80-03,3-Bis(4-(dimethylamino)phenyl)phthalide3,3-BIS[4-(DIMETHYLAMINO)PHENYL]PHTHALIDE3,3-Bis(4-(dimethylamino)phenyl)isobenzofuran-1(3H)-one3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one3,3-BIS[4-(DIMETHYLAMINO)PHENYL]-2-BENZOFURAN-1-ONENSC3561EINECS 226-274-3AI3-17348ChemDiv1_018826SCHEMBL50863DivK1c_003610
Show more names
3,3-Bis[4-(N,N-dimethylamino)phenyl]phthalide3,3-Bis[4-(dimethylamino)phenyl]isobenzofuran-1(3H)-one1,1-Bis[4-(dimethylamino)phenyl]isobenzofuran-3(1H)-one1(3H)-Isobenzofuranone, 3,3-bis(4-(dimethylamino)phenyl)-
NIOSH/TI3688000HMS640H16DTXSID60201556NSC 3561NSC-3561CCG-151593,3-BIS[4-(DIMETHYLAMINO)PHENYL]-1,3-DIHYDRO-2-BENZOFURAN-1-ONEAKOS001483641
Database identifiers
- CAS
5339-80-0- PubChem CID
- 79281
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
1 records
Compound notes
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