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4-Aminobenzamide
CAS: 2835-68-9 | C7H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2835-68-9
Molecular Formula:
C7H8N2O
Molecular Weight:
136.154 g/mol
Names and Synonyms:
4-Aminobenzamide
p-Aminocarbonylaniline
4-(Aminocarbonyl)aniline
4-Carboxamidoaniline
NSC 36963
NSC 233920
(4-(Aminocarbonyl)phenyl)amine
4-Aminobenzenecarboxamide
(4-Aminophenyl)carboxamide
p-Aminobenzenecarboxamide
SR 4329
4-Carbamoylaniline
p-Carbamoylaniline
p-Aminobenzamide
4-Aminobenzamide
Benzamide, p-amino-
Benzamide, 4-amino-
Identifiers:
SMILES:
NC(=O)c1ccc(N)cc1
InChI:
InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 136.154 g/mol | RDKit |
| Exact | Exact Molecular Weight | 136.063662876 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 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 | 69.11 Ų | RDKit |
| Physical Properties | LogP | 0.3677 | RDKit |
| molecular_mass | 136.15 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(N)C1=CC=C(N)C=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10) | Legacy Database | |
| cas-inchi-key | InChIKey=QIKYZXDTTPVVAC-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 181-183 °C | Legacy Database | |
| cas-name | 4-Aminobenzamide | Legacy Database | |
| Molar | Molar Refractivity | 39.3723 | RDKit |
