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Molecule
Naphtanilide G
CAS: 91-96-3 · C22H24N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 91-96-3
- Molecular Formula
- C22H24N2O4
- Molecular Mass
- 380.44 g/mol
Identifiers
CAS Registry Number
91-96-3
SMILES
CC(=O)CC(=O)Nc1ccc(-c2ccc(NC(=O)CC(C)=O)c(C)c2)cc1C
InChI Key
CRRLDLPBQWRVGN-UHFFFAOYSA-N
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)
Names and Synonyms
- Naphtanilide G Synonym
- Butanamide, N,N′-(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis[3-oxo- Synonym
- 4′,4′′′-Bi-o-acetoacetotoluidide Synonym
- N,N′-(3,3′-Dimethyl[1,1′-biphenyl]-4,4′-diyl)bis[3-oxobutanamide] Synonym
- C.I. 37610 Synonym
- Acna Naphthol G Synonym
- Amanil Naphthol AS-G Synonym
- Amarthol AS-G Synonym
- Arlanthol ASG Synonym
- p,p′-Bis(o-acetoacetotoluidide) Synonym
- Cibanaphthol AG Synonym
- C.I. Azoic Coupling Component 5 Synonym
- Daito Grounder G Synonym
- Diacetylacetotolidide Synonym
- Hiltonaphthol AS-G Synonym
- Kambothol ASG Synonym
- Kiwa Grounder G Synonym
- Mitsui Naphthozol G Synonym
- Naphtanilide G Synonym
- Naphtazol J Synonym
- Naphthanil G Synonym
- Naphthoide G Synonym
- Naphthol AS-G Dispersible Synonym
- Naphthol AS-G Supra Synonym
- Naphtoelan G Synonym
- Naphtol AS-G Synonym
- Naphtol AS-G Supra Synonym
- Sanatol AS-G Synonym
- Sanatol G Synonym
- Solunaptol YL Synonym
- Tulathol AS-G Synonym
- Ultrazol G Synonym
- 3,3′-Dimethyl-4,4′-bis(acetoacetylamino)biphenyl Synonym
- N,N′-Bis(acetoacetyl)-3,3′-dimethylbenzidine Synonym
- 4,4′-Bis(o-acetoacetotoluidide) Synonym
- 4,4′-Bis(acetoacetylamino)-3,3′-dimethylbiphenyl Synonym
- Naphthol AS-G Synonym
- 4,4′-Bis(acetoacetamido)-3,3′-dimethylbiphenyl Synonym
- 4,4′-Bis(acetoacetamido)-3,3′-dimethyl-1,1′-biphenyl Synonym
- Naphthol G Synonym
- NSC 37212 Synonym
- NSC 50639 Synonym
- Napthol ASG Synonym
- Red B Base Synonym
- Dycosthol AS-G Synonym
- Conazoic E Synonym
- Naftol AS-G Synonym
- Hebeithol AS-G Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.44 g/mol | CAS Common Chemistry |
| 380.4440000000002 g/mol | RDKit | |
| 380.444 g/mol | RDKit | |
| Boiling Point | 353.4 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C(C=C1C)C=2C=CC(NC(=O)CC(=O)C)=C(C2)C)CC(=O)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=CRRLDLPBQWRVGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212 °C | CAS Common Chemistry |
| Name | Naphtanilide G | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 92.34 Ų | RDKit |
| LogP | 3.805640000000002 | RDKit |
| 3.8056 | RDKit | |
| Molar Refractivity | 109.20740000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 380.173607248 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 380.44 g/mol. Edit any field — others recompute live.
