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Molecule
N-(2-Hydroxyethyl)Phthalimide
CAS: 3891-07-4 · C10H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3891-07-4
- Molecular Formula
- C10H9NO3
- Molecular Mass
- 191.19 g/mol
Identifiers
CAS Registry Number
3891-07-4
SMILES
O=C1c2ccccc2C(=O)N1CCO
InChI Key
MWFLUYFYHANMCM-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2
Names and Synonyms
- N-(2-Hydroxyethyl)Phthalimide Synonym
- 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)- Synonym
- Phthalimide, N-(2-hydroxyethyl)- Synonym
- 2-(2-Hydroxyethyl)-1H-isoindole-1,3(2H)-dione Synonym
- N-(2-Hydroxyethyl)phthalimide Synonym
- 2-Phthalimidoethanol Synonym
- 2-(N-Phthalimidyl)ethyl alcohol Synonym
- NSC 2773 Synonym
- NSC 50624 Synonym
- 2-(2-Hydroxyethyl)isoindole-1,3-dione Synonym
- 2-(2-Hydroxyethyl)isoindoline-1,3-dione Synonym
- N-Hydroxyethylphthalimide Synonym
- 2-(2-Hydroxyethyl)-2,3-dihydro-1H-isoindole-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.19 g/mol | CAS Common Chemistry |
| 191.18599999999995 g/mol | RDKit | |
| 191.186 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MWFLUYFYHANMCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126.5-127.5 °C | CAS Common Chemistry |
| Name | N-(2-Hydroxyethyl)phthalimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| 57.38 Ų | chempirical lib | |
| LogP | 0.2749 | RDKit |
| Molar Refractivity | 48.89480000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 191.058243148 g/mol | RDKit |
| Boiling Point | 188 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 191.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H9NO3.
