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Stearic Acid, Hydrazide
CAS: 4130-54-5 | C18H38N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4130-54-5
Molecular Formula:
C18H38N2O
Molecular Mass:
298.51 g/mol
Names and Synonyms:
Stearic Acid, Hydrazide
Octadecanoic acid, hydrazide
Stearic acid, hydrazide
Stearohydrazide
Stearoylhydrazine
NSC 67213
Stearic hydrazide
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(O)=NN
InChI:
InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2-17,19H2,1H3,(H,20,21)
Key Properties
Melting Point
114 °C @ Solvent: Ethanol, Chloroform
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 | 298.51 g/mol | CAS Common Chemistry |
| 298.51499999999993 g/mol | RDKit | |
| 298.298413836 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2-17,19H2,1H3,(H,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=BYTFESSQUGDMQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C @ Solvent: Ethanol, Chloroform | CAS Common Chemistry |
| Name | Stearic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 6.078100000000005 | RDKit |
| Molar Refractivity | 93.79720000000007 | RDKit |
