Back to Search
Molecule
N-Methyl-O-Toluidine
CAS: 611-21-2 · C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 611-21-2
- Molecular Formula
- C8H11N
- Molecular Mass
- 121.18 g/mol
Identifiers
CAS Registry Number
611-21-2
SMILES
CNc1ccccc1C
InChI Key
GUAWMXYQZKVRCW-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
Names and Synonyms
- N-Methyl-O-Toluidine Common Name
- Benzenamine, N,2-dimethyl- Synonym
- o-Toluidine, N-methyl- Synonym
- N,2-Dimethylbenzenamine Synonym
- 2,N-Dimethylaniline Synonym
- N-Methyl-o-toluidine Synonym
- N,2-Dimethylaniline Synonym
- o,N-Dimethylaniline Synonym
- N,o-Dimethylaniline Synonym
- N-Methyl-o-methylaniline Synonym
- N-Methyl-2-methylaniline Synonym
- N-Methyl-2-methylbenzenamine Synonym
- 2-Methyl-N-methylaniline Synonym
- Methyl(o-tolyl)amine Synonym
- NSC 9395 Synonym
- N-(2-Methylphenyl)methylamine Synonym
- N-Methyl-N-(o-tolyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.18 g/mol | CAS Common Chemistry |
| 121.18299999999998 g/mol | RDKit | |
| 121.183 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9769 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 207.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=C(C1)NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GUAWMXYQZKVRCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150-151 °C | CAS Common Chemistry |
| Name | N-Methyl-o-toluidine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.03672 | RDKit |
| 2.0367 | RDKit | |
| Molar Refractivity | 40.72570000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 121.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 121.18 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N.
