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4-Methylbenzamidoxime
CAS: 19227-13-5 | C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19227-13-5
Molecular Formula:
C8H10N2O
Molecular Mass:
150.18 g/mol
Names and Synonyms:
4-Methylbenzamidoxime
Benzenecarboximidamide, N-hydroxy-4-methyl-
p-Toluamidoxime
N-Hydroxy-4-methylbenzenecarboximidamide
4-Methylbenzamidoxime
p-Tolamidoxime
p-Methylbenzamidoxime
p-Toluamide oxime
p-Tolylamidoxime
N-Hydroxy-4-methylbenzamidine
4-Methyl-N-hydroxybenzamidine
N′-Hydroxy-4-methylbenzamidine
N′-Hydroxy-4-methylbenzenecarboximidamide
4-Methylbenzamide oxime
N′-Hydroxy-4-methylbenzimidamide
N-Hydroxy-4-methylbenzimidamide
Identifiers:
SMILES:
Cc1ccc(C(N)=NO)cc1
InChI:
InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
Key Properties
Melting Point
148-149 °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 | 150.18 g/mol | CAS Common Chemistry |
| 150.18100000000004 g/mol | RDKit | |
| 150.07931294 g/mol | RDKit | |
| Canonical SMILES | N=C(NO)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=NKJXMLIWSJATEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148-149 °C | CAS Common Chemistry |
| Name | 4-Methylbenzamidoxime | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.08952 | RDKit |
| Molar Refractivity | 43.68990000000001 | RDKit |
