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Dimethylglyoxime
CAS: 95-45-4 | C4H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-45-4
Molecular Formula:
C4H8N2O2
Molecular Mass:
116.12 g/mol
Names and Synonyms:
Dimethylglyoxime
2,3-Butanedione, 2,3-dioxime
2,3-Butanedione, dioxime
Diacetyl dioxime
Dimethylglyoxime
2,3-Diisonitrosobutane
Chugaev's reagent
Biacetyl dioxime
Reagents, Chugaev's
NSC 9
Identifiers:
SMILES:
CC(=NO)C(C)=NO
InChI:
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3
Key Properties
Boiling Point
249-295 °C
CAS Common Chemistry
Melting Point
245.5 °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 | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 g/mol | RDKit | |
| 116.058577496 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylglyoxime | CAS Common Chemistry |
| Name | Dimethylglyoxime | CAS Common Chemistry |
| Boiling Point | 249-295 °C | CAS Common Chemistry |
| Canonical SMILES | ON=C(C(=NO)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGUQDUKBUKFFRO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245.5 °C | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 0.6866 | RDKit |
| Molar Refractivity | 29.790999999999993 | RDKit |
