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Molecule
Aminoglutethimide
CAS: 125-84-8 · C13H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 125-84-8
- Molecular Formula
- C13H16N2O2
- Molecular Mass
- 232.28 g/mol
Identifiers
CAS Registry Number
125-84-8
SMILES
CCC1(c2ccc(N)cc2)CCC(O)=NC1=O
InChI Key
ROBVIMPUHSLWNV-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
Names and Synonyms
- Aminoglutethimide Common Name
- (RS)-Aminoglutethimide Synonym
- 2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl- Synonym
- Glutarimide, 2-(p-aminophenyl)-2-ethyl- Synonym
- 3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione Synonym
- Aminoglutethimide Synonym
- α-(p-Aminophenyl)-α-ethylglutarimide Synonym
- 2-(p-Aminophenyl)-2-ethylglutarimide Synonym
- Elipten Synonym
- p-Aminoglutethimide Synonym
- Ba-16038 Synonym
- DL-Aminoglutethimide Synonym
- dl-Aminoglutethimide Synonym
- (±)-Aminoglutethimide Synonym
- Cytadren Synonym
- NSC 330915 Synonym
- Orimeten Synonym
- 3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.28 g/mol | CAS Common Chemistry |
| 232.28299999999996 g/mol | RDKit | |
| 232.283 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)C(C2=CC=C(N)C=C2)(CC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=ROBVIMPUHSLWNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149.5 °C | CAS Common Chemistry |
| Name | Aminoglutethimide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 75.68 Ų | RDKit |
| LogP | 2.1935 | RDKit |
| Molar Refractivity | 67.12820000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3846 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 232.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 232.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H16N2O2.
