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Hydralazine
CAS: 86-54-4 | C8H8N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-54-4
Molecular Formula:
C8H8N4
Molecular Mass:
160.18 g/mol
Names and Synonyms:
Hydralazine
Phthalazine, 1-hydrazinyl-
Phthalazine, 1-hydrazino-
1(2H)-Phthalazinone, hydrazone
1-Hydrazinylphthalazine
Ba 5968
Ciba 5968
Apresolin
Apresoline
Apressin (pharmaceutical)
Hydralazine
1-Hydrazinophthalazine
Hydralazin
Hipoftalin
Hypophthalin
C 5968
Aprezolin
Hidralazin
Apressin
1-Phthalazinylhydrazine
NSC 126699
Identifiers:
SMILES:
NN=c1[nH]ncc2ccccc12
InChI:
InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
Key Properties
Melting Point
172-173 °C
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 | 160.18 g/mol | CAS Common Chemistry |
| 160.17999999999998 g/mol | RDKit | |
| 160.074896256 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 |
| LogP | 0.3372999999999998 | RDKit |
| Molar Refractivity | 45.84410000000001 | RDKit |
