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Dimethyl-M-Toluidine
CAS: 121-72-2 | C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-72-2
Molecular Formula:
C9H13N
Molecular Weight:
135.21 g/mol
Names and Synonyms:
Dimethyl-M-Toluidine
Benzenamine, N,N,3-trimethyl-
m-Toluidine, N,N-dimethyl-
N,N,3-Trimethylbenzenamine
N,N-Dimethyl-m-methylaniline
m-Methyl-N,N-dimethylaniline
N,N-Dimethyl-3-methylaniline
m,N,N-Trimethylaniline
Dimethyl-m-toluidine
N,N,3-Trimethylaniline
3-Methyl-N,N-dimethylaniline
3-(Dimethylamino)toluene
N,N-Dimethyl-m-toluidine
NSC 1788
Identifiers:
SMILES:
Cc1cccc(N(C)C)c1
InChI:
InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
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 | 135.21 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database |
| cas-boiling-point | 212 °C None | Legacy Database |
| cas-canonical-smile | C=1C=C(C=C(C1)C)N(C)C None | Legacy Database |
| cas-density | 0.9410 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CWOMTHDOJCARBY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 72 °C None | Legacy Database |
| cas-name | Dimethyl-m-toluidine None | Legacy Database |
| LogP | 2.06102 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.21 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.104799416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.50600000000003 | RDKit |
