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Molecule
4-Dimethylaminopyridine
CAS: 1122-58-3 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1122-58-3
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
1122-58-3
SMILES
CN(C)c1ccncc1
InChI Key
VHYFNPMBLIVWCW-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
Names and Synonyms
- 4-Dimethylaminopyridine Synonym
- 4-Pyridinamine, N,N-dimethyl- Synonym
- Pyridine, 4-(dimethylamino)- Synonym
- N,N-Dimethyl-4-pyridinamine Synonym
- 4-(Dimethylamino)pyridine Synonym
- N,N-Dimethyl-4-aminopyridine Synonym
- γ-(Dimethylamino)pyridine Synonym
- p-Dimethylaminopyridine Synonym
- DMAP Synonym
- 4-DMAP Synonym
- DMAP (catalyst) Synonym
- 4-(N,N-Dimethylamino)pyridine Synonym
- N,N-Dimethyl-4-pyridylamine Synonym
- 4DMAPy 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Dimethylaminopyridine | CAS Common Chemistry |
| Boiling Point | 162 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(=CC1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VHYFNPMBLIVWCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 112 °C | CAS Common Chemistry |
| Name | 4-(Dimethylamino)pyridine | CAS Common Chemistry |
| 4-Dimethylaminopyridine | 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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
