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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
Names and Synonyms:
Anthranilamide
Benzamide, 2-amino-
Benzamide, o-amino-
2-Aminobenzamide
o-Aminobenzamide
Anthranilamide
Anthranilimidic acid
2-Carbamoylaniline
SR 4327
o-Carbamoylaniline
2-Aminobenzenecarboxamide
NSC 38768
2-Aminobenzene-1-carboximidic acid
Identifiers:
SMILES:
N=C(O)c1ccccc1N
InChI:
InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
Key Properties
Boiling Point
300 °C
CAS Common Chemistry
Melting Point
110-115 °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 |
| 136.15399999999994 g/mol | RDKit | |
| 136.063662876 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 |
| Molar Refractivity | 40.31190000000001 | RDKit |
