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N-Methylphthalimide
CAS: 550-44-7 | C9H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
550-44-7
Molecular Formula:
C9H7NO2
Molecular Mass:
161.16 g/mol
Names and Synonyms:
N-Methylphthalimide
1H-Isoindole-1,3(2H)-dione, 2-methyl-
Phthalimide, N-methyl-
2-Methyl-1H-isoindole-1,3(2H)-dione
N-Methylphthalimide
NSC 44059
2-Methylisoindole-1,3-dione
2-Methylisoindoline-1,3-dione
2,2′-Bis(N-methylphthalimide)
2-Methyl-2,3-dihydro-1H-isoindole-1,3-dione
Identifiers:
SMILES:
CN1C(=O)c2ccccc2C1=O
InChI:
InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
Key Properties
Boiling Point
286 °C
CAS Common Chemistry
Melting Point
134 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.16 g/mol | CAS Common Chemistry |
| 161.15999999999997 g/mol | RDKit | |
| 161.047678464 g/mol | RDKit | |
| Boiling Point | 286 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXLYYQUMYFHCLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | N-Methylphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 0.9124 | RDKit |
| Molar Refractivity | 42.86600000000002 | RDKit |
