5-Amino-2-(4-methylphenyl)isoindole-1,3-dione
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Basic information
- CAS
20871-06-1- Standard SMILES
Cc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1- InChIKey
FHABPHDBZIXDNX-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Overview
5-amino-2-(4-methylphenyl)isoindole-1,3-dione is a member of phthalimides.
Names & identifiers
- Preferred name
- 5-Amino-2-(4-methylphenyl)isoindole-1,3-dione
- IUPAC
- 5-amino-2-(4-methylphenyl)isoindole-1,3-dione
- English name
- 5-AMINO-2-P-TOLYL-ISOINDOLE-1,3-DIONE
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
20871-06-15-Amino-2-(p-tolyl)isoindoline-1,3-dione5-Amino-2-p-tolylisoindole-1,3-dione5-amino-2-(4-methylphenyl)isoindole-1,3-dione5-Amino-2-p-tolyl-isoindole-1,3-dioneMLS000029678Oprea1_315308Oprea1_570516SCHEMBL4781427CHEMBL1566451CHEBI:109508HMS2388L10
Show more names
1H-Isoindole-1,3(2H)-dione, 5-amino-2-(4-methylphenyl)-
AKOS000733145SB65024SMR000001050CS-0336489ST50216533F015495SR-01000313708SR-01000313708-1
Database identifiers
- CAS
20871-06-1- PubChem CID
- 654782
- ChEMBL
CHEMBL1566451- ChEBI
CHEBI:109508
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 502.8 · 502.8±60.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 0.81 · 0.81±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
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
- Symbol(GHS)
- GHS07
Chemistry & industry
Additional notes
DefinitionChEBI: 5-amino-2-(4-methylphenyl)isoindole-1,3-dione is a member of phthalimides.
Related reactions
0 records
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Compound notes
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