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Molecule
Tolidine
CAS: 119-93-7 · C14H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 119-93-7
- Molecular Formula
- C14H16N2
- Molecular Mass
- 212.30 g/mol
Identifiers
CAS Registry Number
119-93-7
SMILES
Cc1cc(-c2ccc(N)c(C)c2)ccc1N
InChI Key
NUIURNJTPRWVAP-UHFFFAOYSA-N
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
Names and Synonyms
- Tolidine Common Name
- o,o′-Tolidine Synonym
- [1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethyl- Synonym
- Benzidine, 3,3′-dimethyl- Synonym
- 3,3′-Dimethyl[1,1′-biphenyl]-4,4′-diamine Synonym
- C.I. 37230 Synonym
- C.I. Azoic Diazo Component 113 Synonym
- 3,3′-Dimethylbenzidine Synonym
- Fast Dark Blue Base R Synonym
- o-Tolidine Synonym
- 3,3′-Tolidine Synonym
- 3,3′-Dimethyl-4,4′-biphenyldiamine Synonym
- 3,3′-Dimethyl-4,4′-diaminobiphenyl Synonym
- 4,4′-Diamino-3,3′-dimethylbiphenyl Synonym
- 4′-Amino-3,3′-dimethyl[1,1′-biphenyl]-4-ylamine Synonym
- 4,4′-Diamino-3,3′-dimethyl-1,1′-biphenyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.30 g/mol | CAS Common Chemistry |
| 212.296 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 |
| 3.1348 | RDKit | |
| Molar Refractivity | 70.17680000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 212.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 212.30 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H16N2.
