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Molecule
4-Aminoacetanilide
CAS: 122-80-5 · C8H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 122-80-5
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
122-80-5
SMILES
CC(O)=Nc1ccc(N)cc1
InChI Key
CHMBIJAOCISYEW-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
Names and Synonyms
- 4-Aminoacetanilide Synonym
- Acetamide, N-(4-aminophenyl)- Synonym
- Acetanilide, 4′-amino- Synonym
- Acetanilide, p-amino- Synonym
- N-(4-Aminophenyl)acetamide Synonym
- C.I. 76005 Synonym
- p-Acetamidoaniline Synonym
- Acetyl-p-phenylenediamine Synonym
- C.I. Oxidation Base 19 Synonym
- Fourrine A Synonym
- 4′-Aminoacetanilide Synonym
- Fourrine 88 Synonym
- p-Aminoacetanilide Synonym
- N-Acetyl-p-phenylenediamine Synonym
- 4-(Acetylamino)aniline Synonym
- 4-Acetamidoaniline Synonym
- N-(p-Aminophenyl)acetamide Synonym
- 1-Amino-4-(acetylamino)benzene Synonym
- p-(Acetylamino)aniline Synonym
- Acetparamin Synonym
- p-Acetoaminoaniline Synonym
- 4-Acetoamidoaniline Synonym
- N-Acetyl-1,4-benzenediamine Synonym
- Paracetamin Synonym
- N-Acetyl-1,4-phenylenediamine Synonym
- (4-(Acetylamino)phenyl)amine Synonym
- NSC 2135 Synonym
- 4-Acetylaminobenzeneamine Synonym
- 4-Amino-N-acetylaniline Synonym
- 4-Amino-acetaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.181 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminoacetanilide | CAS Common Chemistry |
| Boiling Point | 267 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C(N)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=CHMBIJAOCISYEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166.5 °C | CAS Common Chemistry |
| Name | N-(4-Aminophenyl)acetamide | CAS Common Chemistry |
| 4-Aminoacetanilide | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.8767 | RDKit |
| Molar Refractivity | 46.252200000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 150.07931294 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 = 150.18 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
