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Bemegride
CAS: 64-65-3 | C8H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64-65-3
Molecular Formula:
C8H13NO2
Molecular Mass:
155.20 g/mol
Names and Synonyms:
Bemegride
2,6-Piperidinedione, 4-ethyl-4-methyl-
Glutarimide, 3-ethyl-3-methyl-
4-Ethyl-4-methyl-2,6-piperidinedione
NP 13
Ahypnon
Bemegrid
Bemegride
2,6-Dioxo-4-methyl-4-ethylpiperidine
4-Ethyl-4-methyl-2,6-dioxopiperidine
β-Ethyl-β-methylglutarimide
3-Ethyl-3-methylglutarimide
Eukraton
Malysol
Megimide
Methetharimide
4-Methyl-4-ethyl-2,6-dioxopiperidine
β-Methyl-β-ethylglutarimide
3-Methyl-3-ethylglutarimide
Mikedimide
Megimid
Agipnon
Etimid
Megibal
Antibarbi
Zentraleptin
NSC 168667
NSC 58187
Identifiers:
SMILES:
CCC1(C)CC(=O)N=C(O)C1
InChI:
InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)
Key Properties
Melting Point
126.5 °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 | 155.20 g/mol | CAS Common Chemistry |
| 155.19699999999997 g/mol | RDKit | |
| 155.094628656 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)CC(C)(C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=ORRZGUBHBVWWOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126.5 °C | CAS Common Chemistry |
| Name | Bemegride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 1.6796 | RDKit |
| Molar Refractivity | 42.70280000000001 | RDKit |
