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Cyclohexanecarbohydrazide
CAS: 38941-47-8 | C7H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38941-47-8
Molecular Formula:
C7H14N2O
Molecular Weight:
142.20199999999997 g/mol
Names and Synonyms:
Cyclohexanecarbohydrazide
Cyclohexanecarboxylic acid, hydrazide
Cyclohexanecarboxylic hydrazide
Cyclohexanecarbonylhydrazine
Cyclohexanecarbohydrazide
NSC 45908
Identifiers:
SMILES:
NN=C(O)C1CCCCC1
InChI:
InChI=1S/C7H14N2O/c8-9-7(10)6-4-2-1-3-5-6/h6H,1-5,8H2,(H,9,10)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.20 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NN)C1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H14N2O/c8-9-7(10)6-4-2-1-3-5-6/h6H,1-5,8H2,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=HUYREUUJFLHEDE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 158-159 °C None | Legacy Database |
| cas-name | Cyclohexanecarbohydrazide None | Legacy Database |
| LogP | 1.3968999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.20199999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.110613068 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.61 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.82620000000002 | RDKit |
