Back to Search
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
Names and Synonyms:
Neutral Red
2,8-Phenazinediamine, N8,N8,3-trimethyl-, hydrochloride (1:1)
C.I. Basic Red 5, monohydrochloride
Toluylene red
2,8-Phenazinediamine, N8,N8,3-trimethyl-, monohydrochloride
C.I. 50040
3-Amino-7-dimethylamino-2-methylphenazine hydrochloride
Neutral Red
Neutral Red W
C.I. Basic Red 5
Nuclear Fast Red (basic dye)
Identifiers:
SMILES:
Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N.Cl
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
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 | 288.78 g/mol | CAS Common Chemistry |
| 288.782 g/mol | RDKit | |
| 288.114174224 g/mol | RDKit | |
| 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 |
| 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 |
| LogP | 3.161420000000001 | RDKit |
| Molar Refractivity | 87.76840000000003 | RDKit |
