Back to Search
Molecule
N-(2,4-Dimethylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 92-75-1 · C19H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-75-1
- Molecular Formula
- C19H17NO2
- Molecular Mass
- 291.35 g/mol
Identifiers
CAS Registry Number
92-75-1
SMILES
Cc1ccc(N=C(O)c2cc3ccccc3cc2O)c(C)c1
InChI Key
VTPSNRIENVXKCI-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)
Names and Synonyms
- N-(2,4-Dimethylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Synonym
- Naphtol AS-AM Synonym
- 2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy- Synonym
- 2-Naphtho-2′,4′-xylidide, 3-hydroxy- Synonym
- N-(2,4-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- C.I. 37527 Synonym
- Amanil Naphthol AS-MX Synonym
- Naphtanilide MX Synonym
- Naphtholate AS-MX Soln Synonym
- Naphthol AS-MX Synonym
- Naphthol AS-MX Supra Synonym
- Naphtol AS-MX Supra Synonym
- Sanatol MX Synonym
- 2-Hydroxy-3-naphtho-2,4-xylidide Synonym
- C.I. Azoic Coupling Component 29 Synonym
- N-(2,4-Dimethylphenyl)-2-hydroxy-3-naphthamide Synonym
- NSC 111668 Synonym
- NSC 50682 Synonym
- Napthol ASLC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.35 g/mol | CAS Common Chemistry |
| 291.3500000000001 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1C)C)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=VTPSNRIENVXKCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2,4-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 4.798540000000004 | RDKit |
| 4.7985 | RDKit | |
| Molar Refractivity | 90.35460000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1053 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 291.12592878400005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 291.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H17NO2.
