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4,6-Dimethyl-3-Pyridinamine
CAS: 1193-71-1 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1193-71-1
Molecular Formula:
C7H10N2
Molecular Weight:
122.171 g/mol
Names and Synonyms:
4,6-Dimethyl-3-Pyridinamine
4,6-Dimethylpyridin-3-ylamine
5-Amino-2,4-lutidine
3-Amino-4,6-dimethylpyridine
5-Amino-2,4-dimethylpyridine
4,6-Dimethyl-3-pyridinamine
2,4-Lutidine, 5-amino-
3-Pyridinamine, 4,6-dimethyl-
Identifiers:
SMILES:
Cc1cc(C)c(N)cn1
InChI:
InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.171 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 38.91 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.28064 | RDKit |
| molecular_mass | 122.17 g/mol | Legacy Database |
| cas-boiling-point | 255-257 °C None | Legacy Database |
| cas-canonical-smile | N=1C=C(N)C(=CC1C)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SHSQTJRJQHPJRQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 68 °C None | Legacy Database |
| cas-name | 4,6-Dimethyl-3-pyridinamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.1234 | RDKit |
