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Molecule
Syringaldazine
CAS: 14414-32-5 · C18H20N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14414-32-5
- Molecular Formula
- C18H20N2O6
- Molecular Mass
- 360.37 g/mol
Identifiers
CAS Registry Number
14414-32-5
SMILES
COc1cc(C=NN=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChI Key
YARKTHNUMGKMGS-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3
Names and Synonyms
- Syringaldazine Common Name
- Benzaldehyde, 4-hydroxy-3,5-dimethoxy-, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]hydrazone Synonym
- Benzaldehyde, 4-hydroxy-3,5-dimethoxy-, azine Synonym
- Benzaldehyde, 4-hydroxy-3,5-dimethoxy-, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]hydrazone Synonym
- Syringaldazine Synonym
- 4-Hydroxy-3,5-dimethoxybenzaldehyde azine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.37 g/mol | CAS Common Chemistry |
| 360.3660000000001 g/mol | RDKit | |
| 360.366 g/mol | RDKit | |
| Canonical SMILES | OC1=C(OC)C=C(C=NN=CC2=CC(OC)=C(O)C(OC)=C2)C=C1OC | CAS Common Chemistry |
| InChI | InChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YARKTHNUMGKMGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Syringaldazine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 102.10000000000002 Ų | RDKit |
| 102.1 Ų | RDKit | |
| LogP | 2.585200000000001 | RDKit |
| 2.5852 | RDKit | |
| Molar Refractivity | 97.60960000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 360.13213635999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 360.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H20N2O6.
