Back to Search
N-(2,4-Dimethylphenyl)-3-Hydroxy-4-[2-(2-Hydroxyphenyl)Diazenyl]-2-Naphthalenecarboxamide
CAS: 523-67-1 | C25H21N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
523-67-1
Molecular Formula:
C25H21N3O3
Molecular Mass:
411.46 g/mol
Names and Synonyms:
N-(2,4-Dimethylphenyl)-3-Hydroxy-4-[2-(2-Hydroxyphenyl)Diazenyl]-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-
2-Naphtho-2′,4′-xylidide, 3-hydroxy-4-[(o-hydroxyphenyl)azo]-
2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy-4-[(2-hydroxyphenyl)azo]-
N-(2,4-Dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-2-naphthalenecarboxamide
Xylidine Blue II
Xylylazo Violet II
Xylidyl Blue II
Magon
NSC 374898
2-[2-Hydroxy-3-(2,4-xylylcarbamoyl)-1-naphthylazo]phenol
Identifiers:
SMILES:
Cc1ccc(N=C(O)c2cc3ccccc3c(N=Nc3ccccc3O)c2O)c(C)c1
InChI:
InChI=1S/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31)
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 | 411.46 g/mol | CAS Common Chemistry |
| 411.4610000000002 g/mol | RDKit | |
| 411.15829153199996 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1C)C)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4O)=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31) | CAS Common Chemistry |
| InChI Key | InChIKey=JSSROCUNTZVPCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2,4-Dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 97.77000000000001 Ų | RDKit |
| LogP | 6.919540000000007 | RDKit |
| Molar Refractivity | 122.63740000000001 | RDKit |
