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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 Weight:
313.35600000000005 g/mol
Names and Synonyms:
3-Hydroxy-N-2-Naphthalenyl-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, 3-hydroxy-N-2-naphthalenyl-
2-Naphthamide, 3-hydroxy-N-2-naphthyl-
3-Hydroxy-N-2-naphthalenyl-2-naphthalenecarboxamide
C.I. 37565
Acco Naf-Sol AS-SW
Acco Naphthol AS-SW
Acna Naphthol D
Amanil Naphthol AS-SW
Amarthol AS-SW
Anthonaphthol SW
Celcot RA
Cibanaphthol RA
C.I. Azoic Coupling Component 7
Diathol SW
Dragonthol SW
Hiltonaphthol AS-SW
3-Hydroxy-N-2-naphthyl-2-naphthamide
Mitsui Naphthozol SW
Naftolo MSW
Naphtanilide SW
Naphtazol SW
Naphthanilid SW
Naphthanil SW
Naphthoide SW
Naphthol AS-SW Dispersible
Naphtholate AS-SW Soln
Naphthol AS-SW
Naphthosol SWF
N-(β-Naphthyl)-2-hydroxy-3-naphthamide
Naphtoelan SW
Naphtol AS-SW
Naphtol AS-SWLL
Naphtol AS-SWN
Naphtol AS-SW Supra
Naphtolate AS-SW Conc. Soln.
Solunaptol BNXL
Tulathol AS-SW
C.I. Developer 23
Miketazol Developer HF
WR 81231
Naphthol SW
NSC 37622
NSC 42112
Dycosthol AS-SW
Hebeithol AS-SW
Anarthol AS-SW
Napthol ASSW
Conazoic L
Naftol AS-SW
Identifiers:
SMILES:
OC(=Nc1ccc2ccccc2c1)c1cc2ccccc2cc1O
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 313.36 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC=1C=CC=2C=CC=CC2C1)C3=CC=4C=CC=CC4C=C3O None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=PMYDPQQPEAYXKD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 258-260 °C None | Legacy Database |
| cas-name | 3-Hydroxy-N-2-naphthalenyl-2-naphthalenecarboxamide None | Legacy Database |
| LogP | 5.334900000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 313.35600000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 313.11027872 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 98.38660000000003 | RDKit |
