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4-Dimethylaminopyridine
CAS: 1122-58-3 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1122-58-3
Molecular Formula:
C7H10N2
Molecular Mass:
122.17 g/mol
Names and Synonyms:
4-Dimethylaminopyridine
4-Pyridinamine, N,N-dimethyl-
Pyridine, 4-(dimethylamino)-
N,N-Dimethyl-4-pyridinamine
4-(Dimethylamino)pyridine
N,N-Dimethyl-4-aminopyridine
γ-(Dimethylamino)pyridine
p-Dimethylaminopyridine
DMAP
4-DMAP
DMAP (catalyst)
4-(N,N-Dimethylamino)pyridine
N,N-Dimethyl-4-pyridylamine
4DMAPy
Identifiers:
SMILES:
CN(C)c1ccncc1
InChI:
InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
Key Properties
Boiling Point
162 °C
CAS Common Chemistry
Melting Point
112 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999996 g/mol | RDKit | |
| 122.08439831999999 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 |
| LogP | 1.1476 | RDKit |
| Molar Refractivity | 38.56400000000001 | RDKit |
