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Hydralazine Hydrochloride
CAS: 304-20-1 | C8H9ClN4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
304-20-1
Molecular Formula:
C8H9ClN4
Molecular Mass:
196.64 g/mol
Names and Synonyms:
Hydralazine Hydrochloride
Phthalazine, 1-hydrazinyl-, hydrochloride (1:1)
Phthalazine, 1-hydrazino-, monohydrochloride
1(2H)-Phthalazinone, hydrazone, monohydrochloride
Apresoline hydrochloride
Hydralazine hydrochloride
Hydralazine monohydrochloride
1-Hydrazinophthalazine hydrochloride
1-Hydrazinophthalazine monohydrochloride
Hydralazine chloride
Lopres
(Phthalazin-1-yl)hydrazine hydrochloride
Apulon
1-Hydrazinylphthalazine hydrochloride
Identifiers:
SMILES:
Cl.NN=c1[nH]ncc2ccccc12
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
Key Properties
Melting Point
273 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.64 g/mol | CAS Common Chemistry |
| 196.64100000000002 g/mol | RDKit | |
| 196.05157396799999 g/mol | RDKit | |
| 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 |
| LogP | 0.7590999999999999 | RDKit |
| Molar Refractivity | 53.09210000000001 | RDKit |
