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Molecule
3-Aminobenzamide
CAS: 3544-24-9 · C7H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3544-24-9
- Molecular Formula
- C7H8N2O
- Molecular Mass
- 136.15 g/mol
Identifiers
CAS Registry Number
3544-24-9
SMILES
N=C(O)c1cccc(N)c1
InChI Key
GSCPDZHWVNUUFI-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Names and Synonyms
- 3-Aminobenzamide Synonym
- Benzamide, 3-amino- Synonym
- Benzamide, m-amino- Synonym
- 3-Aminobenzamide Synonym
- m-Aminobenzamide Synonym
- SR 4294 Synonym
- [3-(Aminocarbonyl)phenyl]amine Synonym
- NSC 36962 Synonym
- 3-Carboxamidoaniline Synonym
- WD 97-000835 Synonym
- 3-(Aminocarbonyl)aniline Synonym
- 3-Carbamoylaniline Synonym
- INO 1001 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.154 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Aminobenzamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C=1C=CC=C(N)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=GSCPDZHWVNUUFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115-116 °C | CAS Common Chemistry |
| Name | 3-Aminobenzamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.1 Ų | RDKit |
| LogP | 1.15217 | RDKit |
| 1.1522 | RDKit | |
| Molar Refractivity | 40.31190000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 136.063662876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| 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 = 136.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8N2O.
