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Dihydralazine Sulfate
CAS: 7327-87-9 | C8H12N6O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7327-87-9
Molecular Formula:
C8H12N6O4S
Molecular Mass:
288.29 g/mol
Names and Synonyms:
Dihydralazine Sulfate
Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1)
Phthalazine, 1,4-dihydrazino-, sulfate (1:1)
1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1)
Depressan
1,4-Dihydrazinophthalazine sulfate
Dihydrazinophthalazine sulfate
Dihydralazine sulfate
Dihyzin
Identifiers:
SMILES:
NN=c1[nH][nH]c(=NN)c2ccccc12.O=S(=O)(O)O
InChI:
InChI=1S/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4)
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 | 288.29 g/mol | CAS Common Chemistry |
| 288.28900000000004 g/mol | RDKit | |
| 288.06407386399997 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)O.N(N)=C1NNC(=NN)C=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=BWHAMWGGORIDBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dihydralazine sulfate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 182.93999999999997 Ų | RDKit |
| LogP | -1.6079999999999988 | RDKit |
| Molar Refractivity | 66.3276 | RDKit |
