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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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Physical Properties

Property Value Source
LogP 3.805640000000002 RDKit
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

Molar

Property Value Source
Molar Refractivity 109.20740000000004 RDKit

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