Back to Search
Molecule
N-Methyl-P-Toluidine
CAS: 623-08-5 · C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 623-08-5
- Molecular Formula
- C8H11N
- Molecular Mass
- 121.18 g/mol
Identifiers
CAS Registry Number
623-08-5
SMILES
CNc1ccc(C)cc1
InChI Key
QCIFLGSATTWUQJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
Names and Synonyms
- N-Methyl-P-Toluidine Synonym
- Benzenamine, N,4-dimethyl- Synonym
- p-Toluidine, N-methyl- Synonym
- N,4-Dimethylbenzenamine Synonym
- N-Methyl-p-toluidine Synonym
- N-Methyl-4-methylaniline Synonym
- N,p-Dimethylaniline Synonym
- p,N-Dimethylaniline Synonym
- 4-Methyl-N-methylaniline Synonym
- p-Methyl-N-methylaniline Synonym
- N,4-Dimethylaniline Synonym
- N-Methyl-p-methylaniline Synonym
- N-Methyl-p-tolylamine Synonym
- 4-(Methylamino)toluene Synonym
- Methyl(4-methylphenyl)amine Synonym
- N-Methyl(4-methylphenyl)amine Synonym
- N-Methyl-p-toluydine Synonym
- N-(4-Methylphenyl)methylamine 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 | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9584 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 210 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QCIFLGSATTWUQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128 °C | CAS Common Chemistry |
| Name | N-Methyl-p-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 = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N.
