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2-Methylbenzohydrazide
CAS: 7658-80-2 | C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7658-80-2
Molecular Formula:
C8H10N2O
Molecular Weight:
150.18099999999998 g/mol
Names and Synonyms:
2-Methylbenzohydrazide
Benzoic acid, 2-methyl-, hydrazide
o-Toluic acid, hydrazide
(o-Methylbenzoyl)hydrazine
o-Methylbenzoic acid hydrazide
2-Methylbenzoic acid hydrazide
(2-Methylbenzoyl)hydrazine
o-Toluoylhydrazine
2-Methylbenzohydrazide
2-Methylbenzenecarboxylic acid hydrazide
o-Methylbenzoyl hydrazide
2-Toluoylhydrazine
2-Methylbenzoic hydrazide
o-Toluic hydrazide
NSC 61566
2-Methylbenzocarbohydrazide
Identifiers:
SMILES:
Cc1ccccc1C(O)=NN
InChI:
InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
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 | 150.18099999999998 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 | 1.17332 | RDKit |
| molecular_mass | 150.18 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(NN)C=1C=CC=CC1C | Legacy Database | |
| cas-inchi | InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=KFXLXEQCRFGDRU-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 153 °C | Legacy Database | |
| cas-name | 2-Methylbenzohydrazide | Legacy Database | |
| Molar | Molar Refractivity | 44.53220000000001 | RDKit |
