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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 Weight:
313.35600000000005 g/mol
Names and Synonyms:
3-Hydroxy-N-1-Naphthalenyl-2-Naphthalenecarboxamide
3-Hydroxy-N-(naphthalen-1-yl)-2-naphthamide
3-Hydroxy-naphthalene-2-carboxylic acid naphthalen-1-ylamide
3-Hydroxy-N-(1-naphthyl)-2-naphthoamide
Napthol ASBO
Anarthol AS-BO
Kiwa Grounder BO
Hebeithol AS-BO
Dycosthol AS-BO
Naftol AS-BS
Conazoic D
NSC 37202
2-Hydroxy-3-naphthoic acid α-naphthylamide
Azoic Coupling Component 4
Naphthol BO
2-Hydroxynaphthalene-3-carboxylic acid α-naphthylamide
3-Hydroxy-N-1-naphthyl-2-naphthamide
Ultrazol VII-BO
Tulathol AS-BO
Solunaptol ANL
Naphtol AS-BOLL
Naphtol AS-BO
Naphtoelan BO
N-(1-Naphthyl)-3-hydroxy-2-naphthamide
Naphthol AS-BO
Naphthol ACNA F
Naphthoide BO
Naphtazol 3B
Naphtanilide BO Supra
Naphtanilide BO
Naftolo MBO
Mitsui Naphthozol BO
Hiltonaphthol AS-BO
Dragonthol BO
C.I. Azoic Coupling Component 4
Cibanaphthol RN
Celcot RN
Brenthol AN
Azotol ANF
Azonaphtol AN
Anthonaphthol M 3B
Amarthol AS-BO
Amanil Naphthol AS-BO
Acna Naphthol F
Acco Naphthol AS-BO
C.I. 37560
3-Hydroxy-N-1-naphthalenyl-2-naphthalenecarboxamide
2-Naphthamide, 3-hydroxy-N-1-naphthyl-
2-Naphthalenecarboxamide, 3-hydroxy-N-1-naphthalenyl-
Sanatol BO
Identifiers:
SMILES:
OC(=Nc1cccc2ccccc12)c1cc2ccccc2cc1O
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)
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.334900000000004 | RDKit |
| molecular_mass | 313.36 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC1=CC=CC=2C=CC=CC21)C3=CC=4C=CC=CC4C=C3O None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=QGZGJNPVHADCFM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Hydroxy-N-1-naphthalenyl-2-naphthalenecarboxamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 98.38660000000003 | RDKit |
