Back to Search
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
Names and Synonyms:
Aminoglutethimide
(RS)-Aminoglutethimide
2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-
Glutarimide, 2-(p-aminophenyl)-2-ethyl-
3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione
Aminoglutethimide
α-(p-Aminophenyl)-α-ethylglutarimide
2-(p-Aminophenyl)-2-ethylglutarimide
Elipten
p-Aminoglutethimide
Ba-16038
DL-Aminoglutethimide
dl-Aminoglutethimide
(±)-Aminoglutethimide
Cytadren
NSC 330915
Orimeten
3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione
Identifiers:
SMILES:
CCC1(c2ccc(N)cc2)CCC(O)=NC1=O
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)
Key Properties
Melting Point
149.5 °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 | 232.28 g/mol | CAS Common Chemistry |
| 232.28299999999996 g/mol | RDKit | |
| 232.121177752 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 | RDKit |
