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Molecule
3-Hydroxy-N-2-Naphthalenyl-2-Naphthalenecarboxamide
CAS: 135-64-8 · C21H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 135-64-8
- Molecular Formula
- C21H15NO2
- Molecular Mass
- 313.36 g/mol
Identifiers
CAS Registry Number
135-64-8
SMILES
OC(=Nc1ccc2ccccc2c1)c1cc2ccccc2cc1O
InChI Key
PMYDPQQPEAYXKD-UHFFFAOYSA-N
InChI
InChI=1S/C21H15NO2/c23-20-13-17-8-4-3-7-16(17)12-19(20)21(24)22-18-10-9-14-5-1-2-6-15(14)11-18/h1-13,23H,(H,22,24)
Names and Synonyms
- 3-Hydroxy-N-2-Naphthalenyl-2-Naphthalenecarboxamide Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-N-2-naphthalenyl- Synonym
- 2-Naphthamide, 3-hydroxy-N-2-naphthyl- Synonym
- 3-Hydroxy-N-2-naphthalenyl-2-naphthalenecarboxamide Synonym
- C.I. 37565 Synonym
- Acco Naf-Sol AS-SW Synonym
- Acco Naphthol AS-SW Synonym
- Acna Naphthol D Synonym
- Amanil Naphthol AS-SW Synonym
- Amarthol AS-SW Synonym
- Anthonaphthol SW Synonym
- Celcot RA Synonym
- Cibanaphthol RA Synonym
- C.I. Azoic Coupling Component 7 Synonym
- Diathol SW Synonym
- Dragonthol SW Synonym
- Hiltonaphthol AS-SW Synonym
- 3-Hydroxy-N-2-naphthyl-2-naphthamide Synonym
- Mitsui Naphthozol SW Synonym
- Naftolo MSW Synonym
- Naphtanilide SW Synonym
- Naphtazol SW Synonym
- Naphthanilid SW Synonym
- Naphthanil SW Synonym
- Naphthoide SW Synonym
- Naphthol AS-SW Dispersible Synonym
- Naphtholate AS-SW Soln Synonym
- Naphthol AS-SW Synonym
- Naphthosol SWF Synonym
- N-(β-Naphthyl)-2-hydroxy-3-naphthamide Synonym
- Naphtoelan SW Synonym
- Naphtol AS-SW Synonym
- Naphtol AS-SWLL Synonym
- Naphtol AS-SWN Synonym
- Naphtol AS-SW Supra Synonym
- Naphtolate AS-SW Conc. Soln. Synonym
- Solunaptol BNXL Synonym
- Tulathol AS-SW Synonym
- C.I. Developer 23 Synonym
- Miketazol Developer HF Synonym
- WR 81231 Synonym
- Naphthol SW Synonym
- NSC 37622 Synonym
- NSC 42112 Synonym
- Dycosthol AS-SW Synonym
- Hebeithol AS-SW Synonym
- Anarthol AS-SW Synonym
- Napthol ASSW Synonym
- Conazoic L Synonym
- Naftol AS-SW Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 313.36 g/mol | CAS Common Chemistry |
| 313.35600000000005 g/mol | RDKit | |
| 313.356 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=2C=CC=CC2C1)C3=CC=4C=CC=CC4C=C3O | CAS Common Chemistry |
| InChI | InChI=1S/C21H15NO2/c23-20-13-17-8-4-3-7-16(17)12-19(20)21(24)22-18-10-9-14-5-1-2-6-15(14)11-18/h1-13,23H,(H,22,24) | CAS Common Chemistry |
| InChI Key | InChIKey=PMYDPQQPEAYXKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 258-260 °C | CAS Common Chemistry |
| Name | 3-Hydroxy-N-2-naphthalenyl-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 5.334900000000004 | RDKit |
| 5.3349 | RDKit | |
| Molar Refractivity | 98.38660000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 313.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 313.36 g/mol. Edit any field — others recompute live.
