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O-Dianisidine
CAS: 119-90-4 | C14H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119-90-4
Molecular Formula:
C14H16N2O2
Molecular Mass:
244.29 g/mol
Names and Synonyms:
O-Dianisidine
[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethoxy-
Fast Blue B Base
Benzidine, 3,3′-dimethoxy-
3,3′-Dimethoxy[1,1′-biphenyl]-4,4′-diamine
Amacel Developed Navy SD
Azogene Fast Blue B
Blue Base Irga B
Blue Base NB
Blue BN Base
Cellitazol B
Cibacete Diazo Navy Blue 2B
C.I. Disperse Black 6
Diacel Navy DC
o-Dianisidine
3,3′-Dimethoxybenzidine
Fast Blue Base B
Fast Blue DSC Base
Hiltonil Fast Blue B Base
Kayaku Blue B Base
Lake Blue B Base
Mitsui Blue B Base
Naphthanil Blue B Base
Setacyl Diazo Navy R
4,4′-Bi-o-anisidine
3,3′-Dimethoxy-4,4′-diaminodiphenyl
Dianisidine
4,4′-Diamino-3,3′-dimethoxy-1,1′-biphenyl
3,3′-Dimethoxybenzidene
NSC 3168
3,3′-Dimethoxy-4,4′-diaminobiphenyl
3,3′-Dimethoxy-biphenyl-4,4′-diamine
Identifiers:
SMILES:
COc1cc(-c2ccc(N)c(OC)c2)ccc1N
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
Key Properties
Boiling Point
356 °C
CAS Common Chemistry
Melting Point
137 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.29 g/mol | CAS Common Chemistry |
| 244.29399999999995 g/mol | RDKit | |
| 244.121177752 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 |
| Molar Refractivity | 73.80680000000002 | RDKit |
