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Molecule
4-Methylphenylhydrazine Hydrochloride
CAS: 637-60-5 · C7H11ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 637-60-5
- Molecular Formula
- C7H11ClN2
- Molecular Mass
- 158.63 g/mol
Identifiers
CAS Registry Number
637-60-5
SMILES
Cc1ccc(NN)cc1.Cl
InChI Key
HMHWNJGOHUYVMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2.ClH/c1-6-2-4-7(9-8)5-3-6;/h2-5,9H,8H2,1H3;1H
Names and Synonyms
- 4-Methylphenylhydrazine Hydrochloride Systematic Name
- Hydrazine, (4-methylphenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, p-tolyl-, monohydrochloride Synonym
- Hydrazine, (4-methylphenyl)-, monohydrochloride Synonym
- Hydrazine, p-tolyl-, hydrochloride Synonym
- p-Tolylhydrazine hydrochloride Synonym
- 4-Methylphenylhydrazine hydrochloride Synonym
- N-(4-Methylphenyl)hydrazine hydrochloride Synonym
- p-Methylphenylhydrazine hydrochloride Synonym
- (4-Methylphenyl)hydrazine monohydrochloride Synonym
- 4-Tolylhydrazine monohydrochloride Synonym
- 4-Tolylhydrazine hydrochloride Synonym
- 1-(4-Methylphenyl)hydrazine hydrochloride Synonym
- 2-(4-Methylphenyl)hydrazinium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.63 g/mol | CAS Common Chemistry |
| 158.63200000000003 g/mol | RDKit | |
| 158.632 g/mol | RDKit | |
| 158.629 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NNC1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2.ClH/c1-6-2-4-7(9-8)5-3-6;/h2-5,9H,8H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HMHWNJGOHUYVMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-160 °C | CAS Common Chemistry |
| Name | 4-Methylphenylhydrazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 1.7024199999999998 | RDKit |
| 1.7024 | RDKit | |
| 1.76 | chempirical lib | |
| Molar Refractivity | 46.23710000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 158.061076032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 158.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H11ClN2.
