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Methyl Red
CAS: 493-52-7 | C15H15N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
493-52-7
Molecular Formula:
C15H15N3O2
Molecular Mass:
269.30 g/mol
Names and Synonyms:
Methyl Red
Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-
C.I. Acid Red 2
Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-
2-[2-[4-(Dimethylamino)phenyl]diazenyl]benzoic acid
p-(Dimethylamino)azobenzene-o-carboxylic acid
Methyl red
2-Carboxy-4′-(dimethylamino)azobenzene
o-[[p-(Dimethylamino)phenyl]azo]benzoic acid
o-Methyl red
4′-(Dimethylamino)azobenzene-2-carboxylic acid
2-[(p-Dimethylamino)phenyl]azobenzoic acid
C.I. 13020
Acid Red 2
4-(2-Carboxyphenylazo)-N,N-dimethylaniline
Methyl red C.I. 13020
2-[[4-(Dimethylamino)phenyl]azo]benzoic acid
NSC 215212
NSC 34729
NSC 9597
4-(Dimethylamino)azobenzene-2′-carboxylic acid
2-(N,N-Dimethyl-4-aminophenyl)azobenzenecarboxylic acid
2-[[4-(Dimethylamino)phenyl]diazenyl]benzoic acid
Identifiers:
SMILES:
CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1
InChI:
InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)
Key Properties
Melting Point
181-182 °C
CAS Common Chemistry
Density
1.31 g/cm³
CAS Common Chemistry
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 | 269.30 g/mol | CAS Common Chemistry |
| 269.304 g/mol | RDKit | |
| 269.11642672 g/mol | RDKit | |
| Density | 1.31 g/cm³ | CAS Common Chemistry |
| 1.31 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_red | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=1C=CC=CC1N=NC2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=CEQFOVLGLXCDCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181-182 °C | CAS Common Chemistry |
| Name | Methyl red | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.26 Ų | RDKit |
| LogP | 3.866200000000002 | RDKit |
| Molar Refractivity | 78.34630000000004 | RDKit |
