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Pigment Yellow 65
CAS: 6528-34-3 | C18H18N4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6528-34-3
Molecular Formula:
C18H18N4O6
Molecular Mass:
386.36 g/mol
Names and Synonyms:
Pigment Yellow 65
Butanamide, 2-[2-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxo-
Butanamide, 2-[(4-methoxy-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxo-
2-[2-(4-Methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
C.I. Pigment Yellow 65
C.I. 11740
Hansa Yellow 3RN
Hansa Yellow RN
Permansa Yellow Lightfast Medium RA 12187
Acetanil Yellow RTCA
Dalamar Yellow YT-820-D
Dalamar Yellow YT 820D
Pigment Yellow 65
Sunbrite Yellow 65
Permanent Yellow RN
2-[2-(4-Methoxy-2-nitrophenyl)diazen-1-yl]-N-(2-methoxyphenyl)-3-oxobutanamide
Identifiers:
SMILES:
COc1ccc(N=NC(C(C)=O)C(O)=Nc2ccccc2OC)c([N+](=O)[O-])c1
InChI:
InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
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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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 386.36 g/mol | CAS Common Chemistry |
| 386.36400000000015 g/mol | RDKit | |
| 386.12263429599994 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1OC)C(N=NC2=CC=C(OC)C=C2N(=O)=O)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24) | CAS Common Chemistry |
| InChI Key | InChIKey=UFORAEIAYCSGCR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Yellow 65 | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 135.98000000000002 Ų | RDKit |
| LogP | 3.9415000000000022 | RDKit |
| Molar Refractivity | 101.35120000000005 | RDKit |
