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Molecule
Hydralazine
CAS: 86-54-4 · C8H8N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86-54-4
- Molecular Formula
- C8H8N4
- Molecular Mass
- 160.18 g/mol
Identifiers
CAS Registry Number
86-54-4
SMILES
NN=c1[nH]ncc2ccccc12
InChI Key
RPTUSVTUFVMDQK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
Names and Synonyms
- Hydralazine Common Name
- Phthalazine, 1-hydrazinyl- Synonym
- Phthalazine, 1-hydrazino- Synonym
- 1(2H)-Phthalazinone, hydrazone Synonym
- 1-Hydrazinylphthalazine Synonym
- Ba 5968 Synonym
- Ciba 5968 Synonym
- Apresolin Synonym
- Apresoline Synonym
- Apressin (pharmaceutical) Synonym
- Hydralazine Synonym
- 1-Hydrazinophthalazine Synonym
- Hydralazin Synonym
- Hipoftalin Synonym
- Hypophthalin Synonym
- C 5968 Synonym
- Aprezolin Synonym
- Hidralazin Synonym
- Apressin Synonym
- 1-Phthalazinylhydrazine Synonym
- NSC 126699 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.18 g/mol | CAS Common Chemistry |
| 160.17999999999998 g/mol | RDKit | |
| Canonical SMILES | N(N)=C1NN=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=RPTUSVTUFVMDQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-173 °C | CAS Common Chemistry |
| Name | Hydralazine | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 0.3372999999999998 | RDKit |
| 0.3373 | RDKit | |
| Molar Refractivity | 45.84410000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 160.074896256 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.
External Resources
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MW = 160.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8N4.
