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Naphtanilide G
CAS: 91-96-3 | C22H24N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-96-3
Molecular Formula:
C22H24N2O4
Molecular Weight:
380.4440000000002 g/mol
Names and Synonyms:
Naphtanilide G
Butanamide, N,N′-(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis[3-oxo-
4′,4′′′-Bi-o-acetoacetotoluidide
N,N′-(3,3′-Dimethyl[1,1′-biphenyl]-4,4′-diyl)bis[3-oxobutanamide]
C.I. 37610
Acna Naphthol G
Amanil Naphthol AS-G
Amarthol AS-G
Arlanthol ASG
p,p′-Bis(o-acetoacetotoluidide)
Cibanaphthol AG
C.I. Azoic Coupling Component 5
Daito Grounder G
Diacetylacetotolidide
Hiltonaphthol AS-G
Kambothol ASG
Kiwa Grounder G
Mitsui Naphthozol G
Naphtanilide G
Naphtazol J
Naphthanil G
Naphthoide G
Naphthol AS-G Dispersible
Naphthol AS-G Supra
Naphtoelan G
Naphtol AS-G
Naphtol AS-G Supra
Sanatol AS-G
Sanatol G
Solunaptol YL
Tulathol AS-G
Ultrazol G
3,3′-Dimethyl-4,4′-bis(acetoacetylamino)biphenyl
N,N′-Bis(acetoacetyl)-3,3′-dimethylbenzidine
4,4′-Bis(o-acetoacetotoluidide)
4,4′-Bis(acetoacetylamino)-3,3′-dimethylbiphenyl
Naphthol AS-G
4,4′-Bis(acetoacetamido)-3,3′-dimethylbiphenyl
4,4′-Bis(acetoacetamido)-3,3′-dimethyl-1,1′-biphenyl
Naphthol G
NSC 37212
NSC 50639
Napthol ASG
Red B Base
Dycosthol AS-G
Conazoic E
Naftol AS-G
Hebeithol AS-G
Identifiers:
SMILES:
CC(=O)CC(=O)Nc1ccc(-c2ccc(NC(=O)CC(C)=O)c(C)c2)cc1C
InChI:
InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
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 | 380.44 g/mol | Legacy Database |
| cas-boiling-point | 353.4 °C None | Legacy Database |
| cas-canonical-smile | O=C(NC1=CC=C(C=C1C)C=2C=CC(NC(=O)CC(=O)C)=C(C2)C)CC(=O)C None | Legacy Database |
| cas-inchi | InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28) None | Legacy Database |
| cas-inchi-key | InChIKey=CRRLDLPBQWRVGN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 212 °C None | Legacy Database |
| cas-name | Naphtanilide G None | Legacy Database |
| LogP | 3.805640000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 380.4440000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 380.173607248 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 92.34 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 109.20740000000004 | RDKit |
