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Lauric Hydrazide
CAS: 5399-22-4 | C12H26N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5399-22-4
Molecular Formula:
C12H26N2O
Molecular Mass:
214.35 g/mol
Names and Synonyms:
Lauric Hydrazide
Dodecanoic acid, hydrazide
Lauric acid, hydrazide
Dodecanohydrazide
Lauroylhydrazine
Dodecanoic hydrazide
Lauroyl hydrazide
NSC 1136
Lauric hydrazide
Identifiers:
SMILES:
CCCCCCCCCCCC(O)=NN
InChI:
InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15)
Key Properties
Boiling Point
270-275 °C
CAS Common Chemistry
Melting Point
104.5 °C @ Solvent: Ethanol
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 | 214.35 g/mol | CAS Common Chemistry |
| 214.35299999999998 g/mol | RDKit | |
| 214.204513452 g/mol | RDKit | |
| Boiling Point | 270-275 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NN)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=YTQHSQQSLTYMSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104.5 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Lauric hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 3.7375000000000016 | RDKit |
| Molar Refractivity | 66.09520000000005 | RDKit |
