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Molecule
P-Aminoacetophenone
CAS: 99-92-3 · C8H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 99-92-3
- Molecular Formula
- C8H9NO
- Molecular Mass
- 135.17 g/mol
Identifiers
CAS Registry Number
99-92-3
SMILES
CC(=O)c1ccc(N)cc1
InChI Key
GPRYKVSEZCQIHD-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
Names and Synonyms
- P-Aminoacetophenone Common Name
- Ethanone, 1-(4-aminophenyl)- Synonym
- Acetophenone, 4′-amino- Synonym
- Acetophenone, p-amino- Synonym
- 1-(4-Aminophenyl)ethanone Synonym
- p-Aminoacetylbenzene Synonym
- 4-Acetylaniline Synonym
- p-Acetylaniline Synonym
- 4′-Aminoacetophenone Synonym
- 1-Acetyl-4-aminobenzene Synonym
- p-Aminophenyl methyl ketone Synonym
- 4-Aminophenyl methyl ketone Synonym
- 4-Acetylphenylamine Synonym
- p-Aminoacetophenone Synonym
- p-Acetylphenylamine Synonym
- NSC 3242 Synonym
- T 3788 Synonym
- 1-(4-Aminophenyl)ethan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.17 g/mol | CAS Common Chemistry |
| 135.166 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.20 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 293-295 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(N)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GPRYKVSEZCQIHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 106 °C | CAS Common Chemistry |
| Name | p-Aminoacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 1.4714 | RDKit |
| Molar Refractivity | 40.85890000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 135.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 135.17 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO.
