Back to Search
Molecule
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
Identifiers
CAS Registry Number
2124-31-4
SMILES
CC(=O)c1ccc(N(C)C)cc1
InChI Key
HUDYANRNMZDQGA-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c1-8(12)9-4-6-10(7-5-9)11(2)3/h4-7H,1-3H3
Names and Synonyms
- 1-[4-(Dimethylamino)Phenyl]Ethanone Synonym
- Ethanone, 1-[4-(dimethylamino)phenyl]- Synonym
- Acetophenone, 4′-(dimethylamino)- Synonym
- 1-[4-(Dimethylamino)phenyl]ethanone Synonym
- p-(Dimethylamino)acetophenone Synonym
- 4′-(Dimethylamino)acetophenone Synonym
- 4′-(N,N-Dimethylamino)acetophenone Synonym
- 4-Acetyl-N,N-dimethylaniline Synonym
- 4-(Dimethylamino)phenyl methyl ketone Synonym
- p-(N,N-Dimethylamino)acetophenone Synonym
- NSC 74022 Synonym
- 1-(4-(Dimethylamino)phenyl)ethan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.22 g/mol | 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.9552 | RDKit |
| 1.88 | chempirical lib | |
| Molar Refractivity | 50.77350000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 163.099714036 g/mol | RDKit |
| Boiling Point | 172-175 °C @ 11 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 163.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13NO.
1-Butanone, 1-(4-aminophenyl)-
CAS 1688-71-7
3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (3S)-
CAS 18881-17-9
Acetamide, N-(2,6-dimethylphenyl)-
CAS 2198-53-0
Acetamide, N-(3,4-dimethylphenyl)-
CAS 2198-54-1
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CAS 120-15-0
6-Methoxy-1,2,3,4-Tetrahydroisoquinoline
CAS 42923-77-3
