Back to Search
Molecule
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
Identifiers
CAS Registry Number
7327-87-9
SMILES
NN=c1[nH][nH]c(=NN)c2ccccc12.O=S(=O)(O)O
InChI Key
BWHAMWGGORIDBK-UHFFFAOYSA-N
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)
Names and Synonyms
- Dihydralazine Sulfate Synonym
- Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1) Synonym
- Phthalazine, 1,4-dihydrazino-, sulfate (1:1) Synonym
- 1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) Synonym
- Depressan Synonym
- 1,4-Dihydrazinophthalazine sulfate Synonym
- Dihydrazinophthalazine sulfate Synonym
- Dihydralazine sulfate Synonym
- Dihyzin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.29 g/mol | CAS Common Chemistry |
| 288.28900000000004 g/mol | RDKit | |
| 288.289 g/mol | RDKit | |
| 288.282 g/mol | chempirical lib | |
| 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 |
| 182.94 Ų | RDKit | |
| LogP | -1.6079999999999988 | RDKit |
| -1.608 | RDKit | |
| Molar Refractivity | 66.3276 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 288.06407386399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 288.29 g/mol. Edit any field — others recompute live.
