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Molecule
4-Methylbenzohydrazide
CAS: 3619-22-5 · C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3619-22-5
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
3619-22-5
SMILES
Cc1ccc(C(=O)NN)cc1
InChI Key
MFFVZXOPRXMVET-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
Names and Synonyms
- 4-Methylbenzohydrazide Systematic Name
- 4-Toluic acid hydrazide Synonym
- Benzoic acid, 4-methyl-, hydrazide Synonym
- p-Toluic acid, hydrazide Synonym
- 4-Methylbenzoic acid hydrazide Synonym
- p-Methylbenzohydrazide Synonym
- p-Methylbenzoic acid hydrazide Synonym
- p-Methylbenzoylhydrazine Synonym
- p-Toluoylhydrazine Synonym
- p-Toluic hydrazide Synonym
- 4-Methylbenzoylhydrazide Synonym
- 4-Methylbenzenecarboxylic acid hydrazide Synonym
- 4-Methylbenzohydrazide Synonym
- (4-Methylbenzoyl)hydrazine Synonym
- p-Methylbenzoyl hydrazide Synonym
- 4-Toluic hydrazide Synonym
- NSC 61567 Synonym
- 4-Methylbenzhydrazide Synonym
- 4-Methylbenzoic hydrazide Synonym
- 4-Toluihydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18100000000004 g/mol | RDKit | |
| 150.181 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=MFFVZXOPRXMVET-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116-118 °C | CAS Common Chemistry |
| Name | 4-Methylbenzohydrazide | 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 | 55.120000000000005 Ų | RDKit |
| 55.12 Ų | RDKit | |
| LogP | 0.5985199999999999 | RDKit |
| 0.5985 | RDKit | |
| Molar Refractivity | 42.83260000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 150.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 150.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
