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Molecule
2-(Dimethylamino)Pyridine
CAS: 5683-33-0 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5683-33-0
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
5683-33-0
SMILES
CN(C)c1ccccn1
InChI Key
PSHKMPUSSFXUIA-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3
Names and Synonyms
- 2-(Dimethylamino)Pyridine Synonym
- 2-Pyridinamine, N,N-dimethyl- Synonym
- Pyridine, 2-(dimethylamino)- Synonym
- N,N-Dimethyl-2-pyridinamine Synonym
- 2-(Dimethylamino)pyridine Synonym
- NSC 93902 Synonym
- 2,6-Dimethyl-3-pyridinylamine Synonym
- N,N-Dimethylpyridin-2-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999996 g/mol | RDKit | |
| 122.171 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0157 g/cm3 @ 14 °C | CAS Common Chemistry | |
| Boiling Point | 196 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PSHKMPUSSFXUIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182 °C | CAS Common Chemistry |
| Name | 2-(Dimethylamino)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 16.130000000000003 Ų | RDKit |
| 16.13 Ų | RDKit | |
| 15.37 Ų | chempirical lib | |
| LogP | 1.1476 | RDKit |
| Molar Refractivity | 38.56400000000001 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; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
