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Molecule
Cuprizone
CAS: 370-81-0 · C14H22N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 370-81-0
- Molecular Formula
- C14H22N4O2
- Molecular Mass
- 278.36 g/mol
Identifiers
CAS Registry Number
370-81-0
SMILES
O=C(NN=C1CCCCC1)C(=O)NN=C1CCCCC1
InChI Key
DSRJIHMZAQEUJV-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)
Names and Synonyms
- Cuprizone Common Name
- Ethanedioic acid, 1,2-bis(2-cyclohexylidenehydrazide) Synonym
- Oxalic acid, bis(cyclohexylidenehydrazide) Synonym
- Ethanedioic acid, bis(cyclohexylidenehydrazide) Synonym
- Cuprizone Synonym
- Biscyclohexanone oxalyldihydrazone Synonym
- Oxalic bis(cyclohexylidene)hydrazide Synonym
- NSC 4283 Synonym
- Bis(1,5-cyclohexanone) oxal dihydrazone Synonym
- Chromium(III) ionophore III Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.36 g/mol | CAS Common Chemistry |
| 278.35600000000005 g/mol | RDKit | |
| 278.356 g/mol | RDKit | |
| Canonical SMILES | O=C(NN=C1CCCCC1)C(=O)NN=C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20) | CAS Common Chemistry |
| InChI Key | InChIKey=DSRJIHMZAQEUJV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cuprizone | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 82.92 Ų | RDKit |
| LogP | 1.8589999999999995 | RDKit |
| 1.859 | RDKit | |
| 2.0 | chempirical lib | |
| Molar Refractivity | 77.32540000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 278.174275944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 278.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H22N4O2.
