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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
Names and Synonyms:
N-(2-Hydroxyethyl)Phthalimide
1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-
Phthalimide, N-(2-hydroxyethyl)-
2-(2-Hydroxyethyl)-1H-isoindole-1,3(2H)-dione
N-(2-Hydroxyethyl)phthalimide
2-Phthalimidoethanol
2-(N-Phthalimidyl)ethyl alcohol
NSC 2773
NSC 50624
2-(2-Hydroxyethyl)isoindole-1,3-dione
2-(2-Hydroxyethyl)isoindoline-1,3-dione
N-Hydroxyethylphthalimide
2-(2-Hydroxyethyl)-2,3-dihydro-1H-isoindole-1,3-dione
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)N1CCO
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
Key Properties
Boiling Point
188 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
126.5-127.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.19 g/mol | CAS Common Chemistry |
| 191.18599999999995 g/mol | RDKit | |
| 191.058243148 g/mol | RDKit | |
| Boiling Point | 188 °C @ Press: 6 Torr | CAS Common Chemistry |
| 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 |
| LogP | 0.2749 | RDKit |
| Molar Refractivity | 48.89480000000002 | RDKit |
