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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
Names and Synonyms:
N-Methyl-O-Toluidine
Benzenamine, N,2-dimethyl-
o-Toluidine, N-methyl-
N,2-Dimethylbenzenamine
2,N-Dimethylaniline
N-Methyl-o-toluidine
N,2-Dimethylaniline
o,N-Dimethylaniline
N,o-Dimethylaniline
N-Methyl-o-methylaniline
N-Methyl-2-methylaniline
N-Methyl-2-methylbenzenamine
2-Methyl-N-methylaniline
Methyl(o-tolyl)amine
NSC 9395
N-(2-Methylphenyl)methylamine
N-Methyl-N-(o-tolyl)amine
Identifiers:
SMILES:
CNc1ccccc1C
InChI:
InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
Key Properties
Boiling Point
207.5 °C
CAS Common Chemistry
Melting Point
150-151 °C
CAS Common Chemistry
Density
0.98 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 | 121.18 g/mol | CAS Common Chemistry |
| 121.18299999999998 g/mol | RDKit | |
| 121.08914935199999 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 |
| Molar Refractivity | 40.72570000000001 | RDKit |
