Basic information
- CAS
7501-05-5- Standard SMILES
O=C1c2ccccc2C(=O)N1CCc1ccccc1- InChIKey
MBYLNRRTUYQZAW-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- N-phenethyl phthalimide
- IUPAC
- 2-(2-phenylethyl)isoindole-1,3-dione
- English name
- 1H-Isoindole-1,3(2H)-dione,2-(2-phenylethyl)-
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
N-phenethyl phthalimide7501-05-5DTXSID40324959RefChem:1092056DTXCID50276076n-phenethylphthalimide2-(2-phenylethyl)-1H-isoindole-1,3(2H)-dione2-(2-PHENYLETHYL)ISOINDOLE-1,3-DIONE2-phenethylisoindoline-1,3-dioneCHEMBL11452NSC408070Cambridge id 5361606
Show more names
1H-Isoindole-1,3(2H)-dione,2-(2-phenylethyl)-
N-(2-phenethyl)phthalimideOprea1_118998MLS001180164SCHEMBL1142116SCHEMBL6618262SCHEMBL7518305SCHEMBL88602662-(2-phenylethyl)-2,3-dihydro-1H-isoindole-1,3-dione
Database identifiers
- CAS
7501-05-5- PubChem CID
- 348641
- DTXSID
DTXSID40324959- ChEMBL
CHEMBL11452- Nikkaji
- J592.615G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility7.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 131 · 131-132 °C
- Boiling point
- 407.9 · 407.9±24.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- -2.18 · -2.18±0.20(Predicted)
Chemistry & industry
Suppliers1 total
山东李比希生物医药科技有限公司17866677155 · [email protected]
Related reactions
9 records
Compound notes
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