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Molecule
Safranin
CAS: 477-73-6 · C20H19ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 477-73-6
- Molecular Formula
- C20H19ClN4
- Molecular Mass
- 350.85 g/mol
Identifiers
CAS Registry Number
477-73-6
SMILES
Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N.[Cl-]
InChI Key
OARRHUQTFTUEOS-UHFFFAOYSA-N
InChI
InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H
Names and Synonyms
- Safranin Synonym
- Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride (1:1) Synonym
- Safranine O Synonym
- C.I. Basic Red 2 Synonym
- Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride Synonym
- C.I. 50240 Synonym
- Brilliant Safranine G Synonym
- Brilliant Safranine BR Synonym
- Brilliant Safranine GR Synonym
- Calcozine Red Y Synonym
- 3,7-Diamino-2,8-dimethyl-5-phenylphenazinium chloride Synonym
- Hidaco Safranine Synonym
- Leather Red HT Synonym
- Mitsui Safranine T Synonym
- Nippon Kagaku Safranine T Synonym
- Nippon Kagaku Safranine GK Synonym
- Safranin Synonym
- Safranin O Synonym
- Safranine Synonym
- Safranine GF Synonym
- Safranine OK Synonym
- Safranine Superfine G Synonym
- Safranine TH Synonym
- Safranine TN Synonym
- Safranine TS Synonym
- Safranine YN Synonym
- Safranine A Synonym
- Safranine B Synonym
- Safranine G Synonym
- Safranine J Synonym
- Safranine T Synonym
- Safranine Y Synonym
- Safranine Zh Synonym
- 2,8-Dimethylphenosafranine Synonym
- Safranin T Synonym
- Basic Red 2 Synonym
- Tolusafranine Synonym
- Gossypimine Synonym
- Safranine OK 70:100 Synonym
- Duasyn Basic Red TH Synonym
- Lowacryl Red 2 Synonym
- Lowacryl Red 2 Conc Synonym
- Basic Pink Synonym
- Safranin orange Synonym
- o-Safranin Synonym
- 3,7-Diamino-2,8-dimethyl-5-phenylphenazin-5-ium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.85 g/mol | CAS Common Chemistry |
| 350.85300000000007 g/mol | RDKit | |
| 350.853 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Safranin | CAS Common Chemistry |
| Canonical SMILES | [Cl-].N=1C=2C=C(C(N)=CC2[N+](C=3C=CC=CC3)=C4C=C(N)C(=CC14)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H | CAS Common Chemistry |
| InChI Key | InChIKey=OARRHUQTFTUEOS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Safranine | CAS Common Chemistry |
| Safranin | CAS Common Chemistry | |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 68.81 Ų | RDKit |
| LogP | 0.4499399999999997 | RDKit |
| 0.4499 | RDKit | |
| Molar Refractivity | 99.07980000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 350.129824288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 350.85 g/mol. Edit any field — others recompute live.
