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Tolidine
CAS: 119-93-7 | C14H16N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
119-93-7
Molecular Formula:
C14H16N2
Molecular Mass:
212.30 g/mol
Names and Synonyms:
Tolidine
o,o′-Tolidine
[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethyl-
Benzidine, 3,3′-dimethyl-
3,3′-Dimethyl[1,1′-biphenyl]-4,4′-diamine
C.I. 37230
C.I. Azoic Diazo Component 113
3,3′-Dimethylbenzidine
Fast Dark Blue Base R
o-Tolidine
3,3′-Tolidine
3,3′-Dimethyl-4,4′-biphenyldiamine
3,3′-Dimethyl-4,4′-diaminobiphenyl
4,4′-Diamino-3,3′-dimethylbiphenyl
4′-Amino-3,3′-dimethyl[1,1′-biphenyl]-4-ylamine
4,4′-Diamino-3,3′-dimethyl-1,1′-biphenyl
Identifiers:
SMILES:
Cc1cc(-c2ccc(N)c(C)c2)ccc1N
InChI:
InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
Key Properties
Boiling Point
300 °C
CAS Common Chemistry
Melting Point
129-131 °C
CAS Common Chemistry
Density
1.23 g/cm³
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 | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.234 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tolidine | CAS Common Chemistry |
| Boiling Point | 300 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC(=CC1C)C2=CC=C(N)C(=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NUIURNJTPRWVAP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129-131 °C | CAS Common Chemistry |
| Name | o-Tolidine | CAS Common Chemistry |
| Tolidine | 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 | 3.1348400000000005 | RDKit |
| Molar Refractivity | 70.17680000000001 | RDKit |
