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N-Aminophthalimide
CAS: 1875-48-5 | C8H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1875-48-5
Molecular Formula:
C8H6N2O2
Molecular Mass:
162.15 g/mol
Names and Synonyms:
N-Aminophthalimide
1H-Isoindole-1,3(2H)-dione, 2-amino-
Phthalimide, N-amino-
2-Amino-1H-isoindole-1,3(2H)-dione
1,1-Phthaloylhydrazine
Phthalhydrazide
Phthalic acid, cyclic hydrazide
Hydrazine, 1,1-(1,2-phenylenedicarbonyl)-
N-Aminophthalimide
Phthalocyclohydrazide
NSC 407982
NSC 91685
2-Aminoisoindole-1,3-dione
2-Aminoisoindoline-1,3-dione
2-Amino-2,3-dihydro-1H-isoindole-1,3-dione
Identifiers:
SMILES:
NN1C(=O)c2ccccc2C1=O
InChI:
InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
Key Properties
Melting Point
200-205 °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 | 162.15 g/mol | CAS Common Chemistry |
| 162.14799999999997 g/mol | RDKit | |
| 162.042927432 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1N | CAS Common Chemistry |
| InChI | InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KSILMCDYDAKOJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-205 °C | CAS Common Chemistry |
| Name | N-Aminophthalimide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.4 Ų | RDKit |
| LogP | 0.15630000000000016 | RDKit |
| Molar Refractivity | 41.12940000000001 | RDKit |
