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Molecule
Neutral Red
CAS: 553-24-2 · C15H17ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 553-24-2
- Molecular Formula
- C15H17ClN4
- Molecular Mass
- 288.78 g/mol
Identifiers
CAS Registry Number
553-24-2
SMILES
Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N.Cl
InChI Key
PGSADBUBUOPOJS-UHFFFAOYSA-N
InChI
InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H
Names and Synonyms
- Neutral Red Common Name
- 2,8-Phenazinediamine, N8,N8,3-trimethyl-, hydrochloride (1:1) Synonym
- C.I. Basic Red 5, monohydrochloride Synonym
- Toluylene red Synonym
- 2,8-Phenazinediamine, N8,N8,3-trimethyl-, monohydrochloride Synonym
- C.I. 50040 Synonym
- 3-Amino-7-dimethylamino-2-methylphenazine hydrochloride Synonym
- Neutral Red Synonym
- Neutral Red W Synonym
- C.I. Basic Red 5 Synonym
- Nuclear Fast Red (basic dye) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.78 g/mol | CAS Common Chemistry |
| 288.782 g/mol | RDKit | |
| 288.779 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Neutral_red | CAS Common Chemistry |
| Canonical SMILES | Cl.N=1C2=CC=C(C=C2N=C3C=C(N)C(=CC13)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PGSADBUBUOPOJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Neutral Red | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 55.040000000000006 Ų | RDKit |
| 55.04 Ų | RDKit | |
| 53.75 Ų | chempirical lib | |
| LogP | 3.161420000000001 | RDKit |
| 3.1614 | RDKit | |
| Molar Refractivity | 87.76840000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 288.114174224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 288.78 g/mol. Edit any field — others recompute live.
