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Molecule
N-(2,3-Epoxypropyl)Phthalimide
CAS: 5455-98-1 · C11H9NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5455-98-1
- Molecular Formula
- C11H9NO3
- Molecular Mass
- 203.20 g/mol
Identifiers
CAS Registry Number
5455-98-1
SMILES
O=C1c2ccccc2C(=O)N1CC1CO1
InChI Key
DUILGEYLVHGSEE-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2
Names and Synonyms
- N-(2,3-Epoxypropyl)Phthalimide Systematic Name
- N-(2,3-Epoxypropyl)phthalimide Synonym
- 1H-Isoindole-1,3(2H)-dione, 2-(2-oxiranylmethyl)- Synonym
- 1H-Isoindole-1,3(2H)-dione, 2-(oxiranylmethyl)- Synonym
- Phthalimide, N-(2,3-epoxypropyl)- Synonym
- 2-(2-Oxiranylmethyl)-1H-isoindole-1,3(2H)-dione Synonym
- 2,3-Epoxypropylphthalimide Synonym
- N-Glycidylphthalimide Synonym
- Denacol EX 731 Synonym
- (Phthalimidomethyl)oxirane Synonym
- 2-(Phthalimidomethyl)oxirane Synonym
- N-Oxiranylmethylphthalimide Synonym
- NSC 7244 Synonym
- N-(2,3-Epoxypropan-1-yl)phthalimide Synonym
- 2-[(Oxiranyl)methyl]isoindole-1,3-dione Synonym
- N-(2,3-Epoxypropyl)-2-phthalimide Synonym
- 2-(Oxiran-2-ylmethyl)-2,3-dihydro-1H-isoindole-1,3-dione Synonym
- 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione Synonym
- 2-(Oxiran-2-ylmethyl)isoindole-1,3-dione Synonym
- 2-(Oxiranylmethyl)-1H-isoindole-1,3(2H)-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.20 g/mol | CAS Common Chemistry |
| 203.19699999999995 g/mol | RDKit | |
| 203.197 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1CC3OC3 | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DUILGEYLVHGSEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C | CAS Common Chemistry |
| Name | N-(2,3-Epoxypropyl)phthalimide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.910000000000004 Ų | RDKit |
| 49.91 Ų | RDKit | |
| 46.38 Ų | chempirical lib | |
| LogP | 0.6814 | RDKit |
| Molar Refractivity | 51.54900000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 203.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
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MW = 203.20 g/mol. Edit any field — others recompute live.
Related
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