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Molecule
Dansylhydrazine
CAS: 33008-06-9 · C12H15N3O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 33008-06-9
- Molecular Formula
- C12H15N3O2S
- Molecular Mass
- 265.34 g/mol
Identifiers
CAS Registry Number
33008-06-9
SMILES
CN(C)c1cccc2c(S(=O)(=O)NN)cccc12
InChI Key
KPQYDVAFRDWIBW-UHFFFAOYSA-N
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
Names and Synonyms
- Dansylhydrazine Common Name
- 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, hydrazide Synonym
- 1-Dimethylaminonaphthalene-5-sulfonyl hydrazine Synonym
- Dansylhydrazine Synonym
- Dansyl hydrazide Synonym
- 1-Dimethylaminonaphthalene-5-sulfonyl hydrazide Synonym
- 5-(Dimethylamino)naphthalene-1-sulfonyl hydrazide Synonym
- (5-Dimethylaminonaphthalen-1-yl)sulfonyl hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.34 g/mol | CAS Common Chemistry |
| 265.33799999999997 g/mol | RDKit | |
| 265.338 g/mol | RDKit | |
| 265.331 g/mol | chempirical lib | |
| 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 |
| 1.0578 | RDKit | |
| Molar Refractivity | 72.78390000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 265.08849772 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 265.34 g/mol. Edit any field — others recompute live.
