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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
Names and Synonyms:
Cuprizone
Ethanedioic acid, 1,2-bis(2-cyclohexylidenehydrazide)
Oxalic acid, bis(cyclohexylidenehydrazide)
Ethanedioic acid, bis(cyclohexylidenehydrazide)
Cuprizone
Biscyclohexanone oxalyldihydrazone
Oxalic bis(cyclohexylidene)hydrazide
NSC 4283
Bis(1,5-cyclohexanone) oxal dihydrazone
Chromium(III) ionophore III
Identifiers:
SMILES:
O=C(NN=C1CCCCC1)C(=O)NN=C1CCCCC1
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)
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 | 278.36 g/mol | CAS Common Chemistry |
| 278.35600000000005 g/mol | RDKit | |
| 278.174275944 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 |
| Molar Refractivity | 77.32540000000003 | RDKit |
