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Molecule
Anthranilamide
CAS: 88-68-6 · C7H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 88-68-6
- Molecular Formula
- C7H8N2O
- Molecular Mass
- 136.15 g/mol
Identifiers
CAS Registry Number
88-68-6
SMILES
N=C(O)c1ccccc1N
InChI Key
PXBFMLJZNCDSMP-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
Names and Synonyms
- Anthranilamide Common Name
- Benzamide, 2-amino- Synonym
- Benzamide, o-amino- Synonym
- 2-Aminobenzamide Synonym
- o-Aminobenzamide Synonym
- Anthranilamide Synonym
- Anthranilimidic acid Synonym
- 2-Carbamoylaniline Synonym
- SR 4327 Synonym
- o-Carbamoylaniline Synonym
- 2-Aminobenzenecarboxamide Synonym
- NSC 38768 Synonym
- 2-Aminobenzene-1-carboximidic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.15399999999994 g/mol | RDKit | |
| 136.154 g/mol | RDKit | |
| Boiling Point | 300 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=PXBFMLJZNCDSMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-115 °C | CAS Common Chemistry |
| Name | Anthranilamide | 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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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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.
