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Molecule
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
Identifiers
CAS Registry Number
1875-48-5
SMILES
NN1C(=O)c2ccccc2C1=O
InChI Key
KSILMCDYDAKOJD-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
Names and Synonyms
- N-Aminophthalimide Common Name
- 1H-Isoindole-1,3(2H)-dione, 2-amino- Synonym
- Phthalimide, N-amino- Synonym
- 2-Amino-1H-isoindole-1,3(2H)-dione Synonym
- 1,1-Phthaloylhydrazine Synonym
- Phthalhydrazide Synonym
- Phthalic acid, cyclic hydrazide Synonym
- Hydrazine, 1,1-(1,2-phenylenedicarbonyl)- Synonym
- N-Aminophthalimide Synonym
- Phthalocyclohydrazide Synonym
- NSC 407982 Synonym
- NSC 91685 Synonym
- 2-Aminoisoindole-1,3-dione Synonym
- 2-Aminoisoindoline-1,3-dione Synonym
- 2-Amino-2,3-dihydro-1H-isoindole-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.15 g/mol | CAS Common Chemistry |
| 162.14799999999997 g/mol | RDKit | |
| 162.148 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 |
| 63.17 Ų | chempirical lib | |
| LogP | 0.15630000000000016 | RDKit |
| 0.1563 | RDKit | |
| Molar Refractivity | 41.12940000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 162.042927432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
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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 = 162.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H6N2O2.
