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N-(4-Aminophenyl)Benzamide
CAS: 17625-83-1 | C13H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17625-83-1
Molecular Formula:
C13H12N2O
Molecular Mass:
212.25 g/mol
Names and Synonyms:
N-(4-Aminophenyl)Benzamide
Benzamide, N-(4-aminophenyl)-
Benzanilide, 4′-amino-
N-(4-Aminophenyl)benzamide
N-Benzoyl-1,4-diaminobenzene
1-Amino-4-(benzoylamino)benzene
N-Benzoyl-p-phenylenediamine
4′-Aminobenzanilide
p-Benzamidoaniline
N-Benzoyl-4-aminoaniline
Identifiers:
SMILES:
Nc1ccc(NC(=O)c2ccccc2)cc1
InChI:
InChI=1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
Key Properties
Melting Point
129 °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 | 212.25 g/mol | CAS Common Chemistry |
| 212.25200000000004 g/mol | RDKit | |
| 212.094963004 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(N)C=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=GTTFJYUWPUKXJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129 °C | CAS Common Chemistry |
| Name | N-(4-Aminophenyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.12 Ų | RDKit |
| LogP | 2.5211000000000006 | RDKit |
| Molar Refractivity | 65.24960000000002 | RDKit |
