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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 Mass:
136.15 g/mol
Names and Synonyms:
4-Aminobenzamide
Benzamide, 4-amino-
Benzamide, p-amino-
4-Aminobenzamide
p-Aminobenzamide
p-Carbamoylaniline
4-Carbamoylaniline
SR 4329
p-Aminobenzenecarboxamide
(4-Aminophenyl)carboxamide
4-Aminobenzenecarboxamide
(4-(Aminocarbonyl)phenyl)amine
NSC 233920
NSC 36963
4-Carboxamidoaniline
4-(Aminocarbonyl)aniline
p-Aminocarbonylaniline
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)
Key Properties
Melting Point
181-183 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.154 g/mol | RDKit | |
| 136.063662876 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=QIKYZXDTTPVVAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181-183 °C | CAS Common Chemistry |
| Name | 4-Aminobenzamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.11 Ų | RDKit |
| LogP | 0.3677 | RDKit |
| Molar Refractivity | 39.3723 | RDKit |
Related Molecules
Other compounds with formula C7H8N2O
