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1-[4-(Dimethylamino)Phenyl]Ethanone
CAS: 2124-31-4 | C10H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2124-31-4
Molecular Formula:
C10H13NO
Molecular Mass:
163.22 g/mol
Names and Synonyms:
1-[4-(Dimethylamino)Phenyl]Ethanone
Ethanone, 1-[4-(dimethylamino)phenyl]-
Acetophenone, 4′-(dimethylamino)-
1-[4-(Dimethylamino)phenyl]ethanone
p-(Dimethylamino)acetophenone
4′-(Dimethylamino)acetophenone
4′-(N,N-Dimethylamino)acetophenone
4-Acetyl-N,N-dimethylaniline
4-(Dimethylamino)phenyl methyl ketone
p-(N,N-Dimethylamino)acetophenone
NSC 74022
1-(4-(Dimethylamino)phenyl)ethan-1-one
Identifiers:
SMILES:
CC(=O)c1ccc(N(C)C)cc1
InChI:
InChI=1S/C10H13NO/c1-8(12)9-4-6-10(7-5-9)11(2)3/h4-7H,1-3H3
Key Properties
Boiling Point
172-175 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
103 °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 | 163.22 g/mol | CAS Common Chemistry |
| 163.099714036 g/mol | RDKit | |
| Boiling Point | 172-175 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(C=C1)N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO/c1-8(12)9-4-6-10(7-5-9)11(2)3/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUDYANRNMZDQGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | 1-[4-(Dimethylamino)phenyl]ethanone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.9552 | RDKit |
| Molar Refractivity | 50.77350000000003 | RDKit |
