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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 Weight:
150.18100000000004 g/mol
Names and Synonyms:
4-Methylbenzamidoxime
N-Hydroxy-4-methylbenzimidamide
N′-Hydroxy-4-methylbenzimidamide
4-Methylbenzamide oxime
N′-Hydroxy-4-methylbenzenecarboximidamide
N′-Hydroxy-4-methylbenzamidine
4-Methyl-N-hydroxybenzamidine
N-Hydroxy-4-methylbenzamidine
p-Tolylamidoxime
p-Toluamide oxime
p-Methylbenzamidoxime
p-Tolamidoxime
4-Methylbenzamidoxime
N-Hydroxy-4-methylbenzenecarboximidamide
p-Toluamidoxime
Benzenecarboximidamide, N-hydroxy-4-methyl-
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)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 150.18100000000004 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.07931294 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 58.61 Ų | RDKit |
| Physical Properties | LogP | 1.08952 | RDKit |
| molecular_mass | 150.18 g/mol | Legacy Database | |
| cas-canonical-smile | N=C(NO)C1=CC=C(C=C1)C | Legacy Database | |
| cas-inchi | InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10) | Legacy Database | |
| cas-inchi-key | InChIKey=NKJXMLIWSJATEE-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 148-149 °C | Legacy Database | |
| cas-name | 4-Methylbenzamidoxime | Legacy Database | |
| Molar | Molar Refractivity | 43.68990000000001 | RDKit |
