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4-Aminoacetanilide
CAS: 122-80-5 | C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-80-5
Molecular Formula:
C8H10N2O
Molecular Weight:
150.181 g/mol
Names and Synonyms:
4-Aminoacetanilide
Acetamide, N-(4-aminophenyl)-
Acetanilide, 4′-amino-
Acetanilide, p-amino-
N-(4-Aminophenyl)acetamide
C.I. 76005
p-Acetamidoaniline
Acetyl-p-phenylenediamine
C.I. Oxidation Base 19
Fourrine A
4′-Aminoacetanilide
Fourrine 88
p-Aminoacetanilide
N-Acetyl-p-phenylenediamine
4-(Acetylamino)aniline
4-Acetamidoaniline
N-(p-Aminophenyl)acetamide
1-Amino-4-(acetylamino)benzene
p-(Acetylamino)aniline
Acetparamin
p-Acetoaminoaniline
4-Acetoamidoaniline
N-Acetyl-1,4-benzenediamine
Paracetamin
N-Acetyl-1,4-phenylenediamine
(4-(Acetylamino)phenyl)amine
NSC 2135
4-Acetylaminobenzeneamine
4-Amino-N-acetylaniline
4-Amino-acetaniline
Identifiers:
SMILES:
CC(O)=Nc1ccc(N)cc1
InChI:
InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 150.18 g/mol | Legacy Database |
| density | 1.19 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/4-Aminoacetanilide | Legacy Database | |
| cas-boiling-point | 267 °C | Legacy Database | |
| cas-canonical-smile | O=C(NC1=CC=C(N)C=C1)C | Legacy Database | |
| cas-density | 1.19 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=CHMBIJAOCISYEW-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 166.5 °C | Legacy Database | |
| cas-name | N-(4-Aminophenyl)acetamide | Legacy Database | |
| wikipedia-name | 4-Aminoacetanilide | Legacy Database | |
| LogP | 1.8767 | RDKit | |
| Molecular | Molecular Weight | 150.181 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.07931294 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 58.61 Ų | RDKit |
| Molar | Molar Refractivity | 46.252200000000016 | RDKit |
