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Molecule
4-Methoxybenzaldehyde Azine
CAS: 2299-73-2 · C16H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2299-73-2
- Molecular Formula
- C16H16N2O2
- Molecular Mass
- 268.32 g/mol
Identifiers
CAS Registry Number
2299-73-2
SMILES
COc1ccc(C=NN=Cc2ccc(OC)cc2)cc1
InChI Key
SVAKQZXLNBBOTG-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N2O2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
Names and Synonyms
- 4-Methoxybenzaldehyde Azine Systematic Name
- Benzaldehyde, 4-methoxy-, 2-[(4-methoxyphenyl)methylene]hydrazone Synonym
- p-Anisaldehyde, azine Synonym
- Benzaldehyde, 4-methoxy-, [(4-methoxyphenyl)methylene]hydrazone Synonym
- p-Anisalazine Synonym
- Anisaldazine Synonym
- p-Anisaldazine Synonym
- Anisalazine Synonym
- p-Methoxybenzaldehyde azine Synonym
- p-Methoxybenzaldazine Synonym
- 4,4′-Dimethoxybenzylideneazine Synonym
- 4-Methoxybenzalazine Synonym
- 4-Methoxybenzaldehyde azine Synonym
- NSC 1987 Synonym
- 4-Methoxybenzaldehyde [(4-methoxyphenyl)methylene]hydrazone Synonym
- 4,4′-Dimethoxybenzaldazine Synonym
- 1,2-Bis(4-methoxybenzylidene)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.32 g/mol | CAS Common Chemistry |
| 268.31600000000003 g/mol | RDKit | |
| 268.316 g/mol | RDKit | |
| Canonical SMILES | N(N=CC1=CC=C(OC)C=C1)=CC2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H16N2O2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SVAKQZXLNBBOTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165 °C | CAS Common Chemistry |
| Name | 4-Methoxybenzaldehyde azine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.18000000000001 Ų | RDKit |
| 43.18 Ų | RDKit | |
| LogP | 3.1568000000000014 | RDKit |
| 3.1568 | RDKit | |
| Molar Refractivity | 81.17600000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 268.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 268.32 g/mol. Edit any field — others recompute live.
