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Molecule
Potassium Phthalimide
CAS: 1074-82-4 · C8H5KNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1074-82-4
- Molecular Formula
- C8H5KNO2
- Molecular Mass
- 186.23 g/mol
Identifiers
CAS Registry Number
1074-82-4
SMILES
O=C1N=C(O)c2ccccc21.[K]
InChI Key
BYXYCUABYHCYLY-UHFFFAOYSA-N
InChI
InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);
Names and Synonyms
- Potassium Phthalimide Common Name
- 1H-Isoindole-1,3(2H)-dione, potassium salt (1:1) Synonym
- Phthalimide, potassium salt Synonym
- 1H-Isoindole-1,3(2H)-dione, potassium salt Synonym
- Potassium, phthalimido- Synonym
- Phthalimide, potassium deriv. Synonym
- Potassium phthalimide Synonym
- N-Potassiophthalimide Synonym
- Potassium phthalimidate Synonym
- Phthalimidopotassium Synonym
- Phthalimide potassium Synonym
- Potassium isoindoline-1,3-dione Synonym
- Isoindole-1,3-dione potassium salt Synonym
- Potassium 2,3-dihydro-1H-isoindole-1,3-dione Synonym
- Potassium 1,3-dioxoisoindolin-2-ide Synonym
- 1H-Isoindole-1,3(2H)-dione, potassium salt, ion(1-) (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.23 g/mol | CAS Common Chemistry |
| 186.23099999999994 g/mol | RDKit | |
| 186.231 g/mol | RDKit | |
| 187.239 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_phthalimide | CAS Common Chemistry |
| Canonical SMILES | [K].O=C1NC(=O)C=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11); | CAS Common Chemistry |
| InChI Key | InChIKey=BYXYCUABYHCYLY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >250 °C | CAS Common Chemistry |
| Name | Potassium phthalimide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 0.7642 | RDKit |
| Molar Refractivity | 45.69230000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 185.99573508 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 186.23 g/mol. Edit any field — others recompute live.
