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Molecule
3-Hydroxy-N-1-Naphthalenyl-2-Naphthalenecarboxamide
CAS: 132-68-3 · C21H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 132-68-3
- Molecular Formula
- C21H15NO2
- Molecular Mass
- 313.36 g/mol
Identifiers
CAS Registry Number
132-68-3
SMILES
OC(=Nc1cccc2ccccc12)c1cc2ccccc2cc1O
InChI Key
QGZGJNPVHADCFM-UHFFFAOYSA-N
InChI
InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)
Names and Synonyms
- 3-Hydroxy-N-1-Naphthalenyl-2-Naphthalenecarboxamide Systematic Name
- Sanatol BO Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-N-1-naphthalenyl- Synonym
- 2-Naphthamide, 3-hydroxy-N-1-naphthyl- Synonym
- 3-Hydroxy-N-1-naphthalenyl-2-naphthalenecarboxamide Synonym
- C.I. 37560 Synonym
- Acco Naphthol AS-BO Synonym
- Acna Naphthol F Synonym
- Amanil Naphthol AS-BO Synonym
- Amarthol AS-BO Synonym
- Anthonaphthol M 3B Synonym
- Azonaphtol AN Synonym
- Azotol ANF Synonym
- Brenthol AN Synonym
- Celcot RN Synonym
- Cibanaphthol RN Synonym
- C.I. Azoic Coupling Component 4 Synonym
- Dragonthol BO Synonym
- Hiltonaphthol AS-BO Synonym
- Mitsui Naphthozol BO Synonym
- Naftolo MBO Synonym
- Naphtanilide BO Synonym
- Naphtanilide BO Supra Synonym
- Naphtazol 3B Synonym
- Naphthoide BO Synonym
- Naphthol ACNA F Synonym
- Naphthol AS-BO Synonym
- N-(1-Naphthyl)-3-hydroxy-2-naphthamide Synonym
- Naphtoelan BO Synonym
- Naphtol AS-BO Synonym
- Naphtol AS-BOLL Synonym
- Solunaptol ANL Synonym
- Tulathol AS-BO Synonym
- Ultrazol VII-BO Synonym
- 3-Hydroxy-N-1-naphthyl-2-naphthamide Synonym
- 2-Hydroxynaphthalene-3-carboxylic acid α-naphthylamide Synonym
- Naphthol BO Synonym
- Azoic Coupling Component 4 Synonym
- 2-Hydroxy-3-naphthoic acid α-naphthylamide Synonym
- NSC 37202 Synonym
- Conazoic D Synonym
- Naftol AS-BS Synonym
- Dycosthol AS-BO Synonym
- Hebeithol AS-BO Synonym
- Kiwa Grounder BO Synonym
- Anarthol AS-BO Synonym
- Napthol ASBO Synonym
- 3-Hydroxy-N-(1-naphthyl)-2-naphthoamide Synonym
- 3-Hydroxy-naphthalene-2-carboxylic acid naphthalen-1-ylamide Synonym
- 3-Hydroxy-N-(naphthalen-1-yl)-2-naphthamide 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(NC1=CC=CC=2C=CC=CC21)C3=CC=4C=CC=CC4C=C3O | CAS Common Chemistry |
| InChI | InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24) | CAS Common Chemistry |
| InChI Key | InChIKey=QGZGJNPVHADCFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Hydroxy-N-1-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...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
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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.
Related
Related molecules
Other compounds with formula C21H15NO2.
