Back to Search
Molecule
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
Identifiers
CAS Registry Number
4080-98-2
SMILES
NN=C(O)CCCCCCCCCCC(O)=NN
InChI Key
GRGBENNNGZARRZ-UHFFFAOYSA-N
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)
Names and Synonyms
- Dodecanedioic Acid Dihydrazide Common Name
- Dodecanedioic acid, 1,12-dihydrazide Synonym
- Dodecanedioic acid, dihydrazide Synonym
- N 12 (hydrazide) Synonym
- N 12 Synonym
- Dodecanedioic dihydrazide Synonym
- DDH-S Synonym
- DDH Synonym
- 1,12-Dodecandioic acid dihydrazide Synonym
- Dodecanedioic acid dihydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.37 g/mol | CAS Common Chemistry |
| 258.36599999999993 g/mol | RDKit | |
| 258.366 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 |
| 2.5478 | RDKit | |
| 2.32 | chempirical lib | |
| Molar Refractivity | 74.67240000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 258.205576072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 258.37 g/mol. Edit any field — others recompute live.
