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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 Weight:
150.18100000000004 g/mol
Names and Synonyms:
4-Methylbenzohydrazide
4-Toluihydrazide
4-Methylbenzoic hydrazide
4-Methylbenzhydrazide
NSC 61567
4-Toluic hydrazide
p-Methylbenzoyl hydrazide
(4-Methylbenzoyl)hydrazine
4-Methylbenzohydrazide
4-Methylbenzenecarboxylic acid hydrazide
4-Methylbenzoylhydrazide
p-Toluic hydrazide
p-Toluoylhydrazine
p-Methylbenzoylhydrazine
p-Methylbenzoic acid hydrazide
p-Methylbenzohydrazide
4-Methylbenzoic acid hydrazide
p-Toluic acid, hydrazide
Benzoic acid, 4-methyl-, hydrazide
4-Toluic acid hydrazide
Identifiers:
SMILES:
Cc1ccc(C(=O)NN)cc1
InChI:
InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)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 |
|---|---|---|---|
| Physical Properties | molecular_mass | 150.18 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NN)C1=CC=C(C=C1)C | Legacy Database | |
| cas-inchi | InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=MFFVZXOPRXMVET-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 116-118 °C | Legacy Database | |
| cas-name | 4-Methylbenzohydrazide | Legacy Database | |
| LogP | 0.5985199999999999 | RDKit | |
| 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 | 55.120000000000005 Ų | RDKit |
| Molar | Molar Refractivity | 42.83260000000001 | RDKit |
