Back to Search
Benzamidoxime
CAS: 613-92-3 | C7H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
613-92-3
Molecular Formula:
C7H8N2O
Molecular Mass:
136.15 g/mol
Names and Synonyms:
Benzamidoxime
Benzenecarboximidamide, N-hydroxy-
Benzamidoxime
N-Hydroxybenzenecarboximidamide
Benzohydroxamamide
Benzamide oxime
N-Hydroxybenzamidine
Phenylhydroxamidine
N-Hydroxybenzimidamide
N′-Hydroxybenzenecarboximidamide
NSC 13999
N′-Hydroxybenzamidine
N′-Hydroxybenzimidamide
N′-Hydroxybenzene-1-carboximidamide
Identifiers:
SMILES:
N=C(NO)c1ccccc1
InChI:
InChI=1S/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9)
Key Properties
Melting Point
80 °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 |
| 136.154 g/mol | RDKit | |
| 136.063662876 g/mol | RDKit | |
| Canonical SMILES | N=C(NO)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=MXOQNVMDKHLYCZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80 °C | CAS Common Chemistry |
| Name | Benzamidoxime | 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 | 56.11 Ų | RDKit |
| LogP | 0.9907700000000002 | RDKit |
| Molar Refractivity | 38.19290000000002 | RDKit |
