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Molecule
4,6-Dimethyl-3-Pyridinamine
CAS: 1193-71-1 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1193-71-1
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
1193-71-1
SMILES
Cc1cc(C)c(N)cn1
InChI Key
SHSQTJRJQHPJRQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3
Names and Synonyms
- 4,6-Dimethyl-3-Pyridinamine Systematic Name
- 3-Pyridinamine, 4,6-dimethyl- Synonym
- 2,4-Lutidine, 5-amino- Synonym
- 4,6-Dimethyl-3-pyridinamine Synonym
- 5-Amino-2,4-dimethylpyridine Synonym
- 3-Amino-4,6-dimethylpyridine Synonym
- 5-Amino-2,4-lutidine Synonym
- 4,6-Dimethylpyridin-3-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.171 g/mol | RDKit | |
| Boiling Point | 255-257 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=C(N)C(=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SHSQTJRJQHPJRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 4,6-Dimethyl-3-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| 38.38 Ų | chempirical lib | |
| LogP | 1.28064 | RDKit |
| 1.2806 | RDKit | |
| Molar Refractivity | 38.1234 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 122.08439831999999 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
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MW = 122.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
