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Molecule
O-Dianisidine
CAS: 119-90-4 · C14H16N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 119-90-4
- Molecular Formula
- C14H16N2O2
- Molecular Mass
- 244.29 g/mol
Identifiers
CAS Registry Number
119-90-4
SMILES
COc1cc(-c2ccc(N)c(OC)c2)ccc1N
InChI Key
JRBJSXQPQWSCCF-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
Names and Synonyms
- O-Dianisidine Common Name
- [1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethoxy- Synonym
- Fast Blue B Base Synonym
- Benzidine, 3,3′-dimethoxy- Synonym
- 3,3′-Dimethoxy[1,1′-biphenyl]-4,4′-diamine Synonym
- Amacel Developed Navy SD Synonym
- Azogene Fast Blue B Synonym
- Blue Base Irga B Synonym
- Blue Base NB Synonym
- Blue BN Base Synonym
- Cellitazol B Synonym
- Cibacete Diazo Navy Blue 2B Synonym
- C.I. Disperse Black 6 Synonym
- Diacel Navy DC Synonym
- o-Dianisidine Synonym
- 3,3′-Dimethoxybenzidine Synonym
- Fast Blue Base B Synonym
- Fast Blue DSC Base Synonym
- Hiltonil Fast Blue B Base Synonym
- Kayaku Blue B Base Synonym
- Lake Blue B Base Synonym
- Mitsui Blue B Base Synonym
- Naphthanil Blue B Base Synonym
- Setacyl Diazo Navy R Synonym
- 4,4′-Bi-o-anisidine Synonym
- 3,3′-Dimethoxy-4,4′-diaminodiphenyl Synonym
- Dianisidine Synonym
- 4,4′-Diamino-3,3′-dimethoxy-1,1′-biphenyl Synonym
- 3,3′-Dimethoxybenzidene Synonym
- NSC 3168 Synonym
- 3,3′-Dimethoxy-4,4′-diaminobiphenyl Synonym
- 3,3′-Dimethoxy-biphenyl-4,4′-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.29 g/mol | CAS Common Chemistry |
| 244.29399999999995 g/mol | RDKit | |
| 244.294 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/O-Dianisidine | CAS Common Chemistry |
| Boiling Point | 356 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=C(C=CC1N)C2=CC=C(N)C(OC)=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JRBJSXQPQWSCCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137 °C | CAS Common Chemistry |
| Name | Dianisidine | CAS Common Chemistry |
| o-Dianisidine | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.5 Ų | RDKit |
| LogP | 2.5351999999999997 | RDKit |
| 2.5352 | RDKit | |
| Molar Refractivity | 73.80680000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 244.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 244.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H16N2O2.
