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Fenaminosulf
CAS: 140-56-7 | C8H11N3NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-56-7
Molecular Formula:
C8H11N3NaO3S
Molecular Mass:
252.25 g/mol
Names and Synonyms:
Fenaminosulf
Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)
Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt
Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt
Bayer 22555
Dexon
Dexoxon
p-Diazodimethylaniline sodium sulfonate
p-(Dimethylamino)benzenediazosulfonic acid sodium salt
Sodium p-(dimethylamino)benzenediazosulfonate
BAY 22555
Deksonal
Sodium 4-(dimethylamino)benzenediazosulfonate
Bayer 5072
BAY 5072
Dexon 70
Fenaminosulf
Dexon (pesticide)
DAPA (pesticide)
DAPA
Lesan
Sodium [4-(dimethylamino)phenyl]diazenesulfonate
sodium (E)-[4-(dimethylamino)phenyl]diazenesulfonate
sodium 4-dimethylaminobenzenediazosulphonate
4-Dimethylaminobenzendiasulfonic acid sodium salt
Identifiers:
SMILES:
CN(C)c1ccc(N=NS(=O)(=O)O)cc1.[Na]
InChI:
InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);
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 | 252.25 g/mol | CAS Common Chemistry |
| 252.251 g/mol | RDKit | |
| 252.041881492 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)N=NC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14); | CAS Common Chemistry |
| InChI Key | InChIKey=NTXLWYYVHJCTBD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Fenaminosulf | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 82.33 Ų | RDKit |
| LogP | 1.2583 | RDKit |
| Molar Refractivity | 62.58760000000002 | RDKit |
