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Molecule
N-(3-Aminophenyl)Benzamide
CAS: 16091-26-2 · C13H12N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16091-26-2
- Molecular Formula
- C13H12N2O
- Molecular Mass
- 212.25 g/mol
Identifiers
CAS Registry Number
16091-26-2
SMILES
Nc1cccc(N=C(O)c2ccccc2)c1
InChI Key
IRFCTHNJIWUUJZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16)
Names and Synonyms
- N-(3-Aminophenyl)Benzamide Synonym
- Benzamide, N-(3-aminophenyl)- Synonym
- Benzanilide, 3′-amino- Synonym
- N-(3-Aminophenyl)benzamide Synonym
- 3-Benzamidoaniline Synonym
- 3′-Aminobenzanilide Synonym
- m-(Benzoylamino)aniline Synonym
- N-Benzoyl-m-phenylenediamine Synonym
- 3-(Benzoylamino)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.25200000000004 g/mol | RDKit | |
| 212.252 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=C(N)C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=IRFCTHNJIWUUJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 123 °C | CAS Common Chemistry |
| Name | N-(3-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 | 58.61 Ų | RDKit |
| LogP | 2.905100000000001 | RDKit |
| 2.9051 | RDKit | |
| Molar Refractivity | 66.12220000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 212.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 212.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12N2O.
