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Dodecanedioic Acid Dihydrazide
CAS: 4080-98-2 | C12H26N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4080-98-2
Molecular Formula:
C12H26N4O2
Molecular Mass:
258.37 g/mol
Names and Synonyms:
Dodecanedioic Acid Dihydrazide
Dodecanedioic acid, 1,12-dihydrazide
Dodecanedioic acid, dihydrazide
N 12 (hydrazide)
N 12
Dodecanedioic dihydrazide
DDH-S
DDH
1,12-Dodecandioic acid dihydrazide
Dodecanedioic acid dihydrazide
Identifiers:
SMILES:
NN=C(O)CCCCCCCCCCC(O)=NN
InChI:
InChI=1S/C12H26N4O2/c13-15-11(17)9-7-5-3-1-2-4-6-8-10-12(18)16-14/h1-10,13-14H2,(H,15,17)(H,16,18)
Key Properties
Melting Point
184-185 °C
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 | 258.37 g/mol | CAS Common Chemistry |
| 258.36599999999993 g/mol | RDKit | |
| 258.205576072 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CCCCCCCCCCC(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C12H26N4O2/c13-15-11(17)9-7-5-3-1-2-4-6-8-10-12(18)16-14/h1-10,13-14H2,(H,15,17)(H,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=GRGBENNNGZARRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184-185 °C | CAS Common Chemistry |
| Name | Dodecanedioic acid dihydrazide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.22 Ų | RDKit |
| LogP | 2.5477999999999996 | RDKit |
| Molar Refractivity | 74.67240000000004 | RDKit |
