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Molecule
Tetrazolium Violet
CAS: 1719-71-7 · C23H17ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1719-71-7
- Molecular Formula
- C23H17ClN4
- Molecular Mass
- 384.87 g/mol
Identifiers
CAS Registry Number
1719-71-7
SMILES
[Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3cccc4ccccc34)n2)cc1
InChI Key
RONADMZTCCPLEF-UHFFFAOYSA-M
InChI
InChI=1S/C23H17N4.ClH/c1-3-11-19(12-4-1)23-24-26(20-14-5-2-6-15-20)27(25-23)22-17-9-13-18-10-7-8-16-21(18)22;/h1-17H;1H/q+1;/p-1
Names and Synonyms
- Tetrazolium Violet Synonym
- 2H-Tetrazolium, 3-(1-naphthalenyl)-2,5-diphenyl-, chloride (1:1) Synonym
- 2H-Tetrazolium, 3-(1-naphthyl)-2,5-diphenyl-, chloride Synonym
- 2H-Tetrazolium, 3-(1-naphthalenyl)-2,5-diphenyl-, chloride Synonym
- 3-(1-Naphthyl)-2,5-diphenyl-2H-tetrazolium chloride Synonym
- Tetrazolium violet Synonym
- Violet Tetrazolium Synonym
- 2,5-Diphenyl-3-(1-naphthyl)tetrazolium chloride Synonym
- TV Synonym
- 2,5-Diphenyl-3-α-naphthyltetrazolium chloride Synonym
- Tetrazolium purple Synonym
- Tetrazolium violet chloride Synonym
- VT Synonym
- 2,5-Diphenyl-3-(1-naphthyl)-2H-tetrazolium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.87 g/mol | CAS Common Chemistry |
| 384.8700000000001 g/mol | RDKit | |
| 385.875 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].N1=C(N=[N+](C=2C=CC=C3C=CC=CC32)N1C=4C=CC=CC4)C=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C23H17N4.ClH/c1-3-11-19(12-4-1)23-24-26(20-14-5-2-6-15-20)27(25-23)22-17-9-13-18-10-7-8-16-21(18)22;/h1-17H;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=RONADMZTCCPLEF-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Tetrazolium violet | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 34.59 Ų | RDKit |
| LogP | 1.3682000000000003 | RDKit |
| 1.3682 | RDKit | |
| Molar Refractivity | 105.83300000000001 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 384.114174224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
External Resources
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MW = 384.87 g/mol. Edit any field — others recompute live.
