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Dansylhydrazine
CAS: 33008-06-9 | C12H15N3O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33008-06-9
Molecular Formula:
C12H15N3O2S
Molecular Mass:
265.34 g/mol
Names and Synonyms:
Dansylhydrazine
1-Naphthalenesulfonic acid, 5-(dimethylamino)-, hydrazide
1-Dimethylaminonaphthalene-5-sulfonyl hydrazine
Dansylhydrazine
Dansyl hydrazide
1-Dimethylaminonaphthalene-5-sulfonyl hydrazide
5-(Dimethylamino)naphthalene-1-sulfonyl hydrazide
(5-Dimethylaminonaphthalen-1-yl)sulfonyl hydrazine
Identifiers:
SMILES:
CN(C)c1cccc2c(S(=O)(=O)NN)cccc12
InChI:
InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3
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 | 265.34 g/mol | CAS Common Chemistry |
| 265.33799999999997 g/mol | RDKit | |
| 265.08849772 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NN)C1=CC=CC=2C1=CC=CC2N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KPQYDVAFRDWIBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dansylhydrazine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 75.43 Ų | RDKit |
| LogP | 1.0577999999999996 | RDKit |
| Molar Refractivity | 72.78390000000003 | RDKit |
