Back to Search
M-Toluidine
CAS: 108-44-1 | C7H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-44-1
Molecular Formula:
C7H9N
Molecular Weight:
107.156 g/mol
Names and Synonyms:
M-Toluidine
Benzenamine, 3-methyl-
m-Toluidine
3-Methylbenzenamine
3-Aminotoluene
3-Methylaniline
m-Aminotoluene
3-Toluidine
3-Aminophenylmethane
1-Amino-3-methylbenzene
m-Tolylamine
3-Methylphenylamine
(m-Methylphenyl)amine
m-Methylaniline
NSC 15349
Identifiers:
SMILES:
Cc1cccc(N)c1
InChI:
InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 107.16 g/mol | Legacy Database |
| density | 0.99 g/cm³ | Legacy Database |
| cas-boiling-point | 203.3 °C None | Legacy Database |
| cas-canonical-smile | NC1=CC=CC(=C1)C None | Legacy Database |
| cas-density | 0.9889 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JJYPMNFTHPTTDI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -31.2 °C None | Legacy Database |
| cas-name | m-Toluidine None | Legacy Database |
| LogP | 1.5772199999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 107.156 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 107.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.59139999999999 | RDKit |
