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Molecule
Hydralazine Hydrochloride
CAS: 304-20-1 · C8H9ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 304-20-1
- Molecular Formula
- C8H9ClN4
- Molecular Mass
- 196.64 g/mol
Identifiers
CAS Registry Number
304-20-1
SMILES
Cl.NN=c1[nH]ncc2ccccc12
InChI Key
ZUXNZUWOTSUBMN-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H
Names and Synonyms
- Hydralazine Hydrochloride Synonym
- Phthalazine, 1-hydrazinyl-, hydrochloride (1:1) Synonym
- Phthalazine, 1-hydrazino-, monohydrochloride Synonym
- 1(2H)-Phthalazinone, hydrazone, monohydrochloride Synonym
- Apresoline hydrochloride Synonym
- Hydralazine hydrochloride Synonym
- Hydralazine monohydrochloride Synonym
- 1-Hydrazinophthalazine hydrochloride Synonym
- 1-Hydrazinophthalazine monohydrochloride Synonym
- Hydralazine chloride Synonym
- Lopres Synonym
- (Phthalazin-1-yl)hydrazine hydrochloride Synonym
- Apulon Synonym
- 1-Hydrazinylphthalazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.64 g/mol | CAS Common Chemistry |
| 196.64100000000002 g/mol | RDKit | |
| 196.641 g/mol | RDKit | |
| 196.638 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1=CC=2C=CC=CC2C(=NN)N1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZUXNZUWOTSUBMN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 273 °C (decomp) | CAS Common Chemistry |
| Name | Hydralazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 67.06 Ų | RDKit |
| 62.74 Ų | chempirical lib | |
| LogP | 0.7590999999999999 | RDKit |
| 0.7591 | RDKit | |
| Molar Refractivity | 53.09210000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 196.05157396799999 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
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MW = 196.64 g/mol. Edit any field — others recompute live.
