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Molecule
Cda 6
CAS: 63245-38-5 · C26H34N4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 63245-38-5
- Molecular Formula
- C26H34N4O6
- Molecular Mass
- 498.58 g/mol
Identifiers
CAS Registry Number
63245-38-5
SMILES
OC(CCCCCCCCCCC(O)=NN=C(O)c1ccccc1O)=NN=C(O)c1ccccc1O
InChI Key
KKZSDWROKQKKPM-UHFFFAOYSA-N
InChI
InChI=1S/C26H34N4O6/c31-21-15-11-9-13-19(21)25(35)29-27-23(33)17-7-5-3-1-2-4-6-8-18-24(34)28-30-26(36)20-14-10-12-16-22(20)32/h9-16,31-32H,1-8,17-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)
Names and Synonyms
- Cda 6 Common Name
- Dodecanedioic acid, 1,12-bis[2-(2-hydroxybenzoyl)hydrazide] Synonym
- Dodecanedioic acid, bis[2-(2-hydroxybenzoyl)hydrazide] Synonym
- Decamethylenedicarboxylic acid disalicyloylhydrazide Synonym
- CDA 6 Synonym
- Mark CDA 6 Synonym
- Disalicyloylhydrazide decamethylenedicarboxylate Synonym
- ADK Stab CDA 6 Synonym
- Adeka CDA 6 Synonym
- Decanedicarboxylic acid disalicyloylhydrazine Synonym
- Dodecanedioic acid bis[N2-(2-hydroxybenzoyl)hydrazide] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 498.58 g/mol | CAS Common Chemistry |
| 498.58000000000015 g/mol | RDKit | |
| Canonical SMILES | O=C(NNC(=O)CCCCCCCCCCC(=O)NNC(=O)C=1C=CC=CC1O)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C26H34N4O6/c31-21-15-11-9-13-19(21)25(35)29-27-23(33)17-7-5-3-1-2-4-6-8-18-24(34)28-30-26(36)20-14-10-12-16-22(20)32/h9-16,31-32H,1-8,17-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36) | CAS Common Chemistry |
| InChI Key | InChIKey=KKZSDWROKQKKPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212 °C | CAS Common Chemistry |
| Name | CDA 6 | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 170.82 Ų | RDKit |
| LogP | 6.051200000000007 | RDKit |
| 6.0512 | RDKit | |
| Molar Refractivity | 140.84279999999998 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3846 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 498.247834808 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.
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MW = 498.58 g/mol. Edit any field — others recompute live.
