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2,2′-Dimethyl-4,4′-Diaminobiphenyl
CAS: 84-67-3 | C14H16N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
84-67-3
Molecular Formula:
C14H16N2
Molecular Mass:
212.30 g/mol
Names and Synonyms:
2,2′-Dimethyl-4,4′-Diaminobiphenyl
[1,1′-Biphenyl]-4,4′-diamine, 2,2′-dimethyl-
Benzidine, 2,2′-dimethyl-
2,2′-Dimethyl[1,1′-biphenyl]-4,4′-diamine
4,4′-Diamino-2,2′-dimethylbiphenyl
2,2′-Dimethylbenzidine
m-Tolidine
2,2′-Tolidine
2,2′-Dimethyl-4,4′-biphenyldiamine
2,2′-Dimethyl-4,4′-diaminobiphenyl
m-TBHG
NSC 1989
m-TB
2,2′-Dimethyl-4,4′-diaminobiphenylene
DMBZ
4-(4-Amino-2-methylphenyl)-3-methylaniline
2,2′-Dimethyl-4,4′-diaminobenzidine
Identifiers:
SMILES:
Cc1cc(N)ccc1-c1ccc(N)cc1C
InChI:
InChI=1S/C14H16N2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3
Key Properties
Melting Point
131-132 °C @ Solvent: Benzene, Ligroine
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 | 212.30 g/mol | CAS Common Chemistry |
| 212.296 g/mol | RDKit | |
| 212.131348512 g/mol | RDKit | |
| Canonical SMILES | NC=1C=CC(C2=CC=C(N)C=C2C)=C(C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QYIMZXITLDTULQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C @ Solvent: Benzene, Ligroine | CAS Common Chemistry |
| Name | 2,2′-Dimethyl-4,4′-diaminobiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 3.1348400000000014 | RDKit |
| Molar Refractivity | 70.17680000000001 | RDKit |
