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Naphthol Red
CAS: 2786-76-7 | C26H22N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2786-76-7
Molecular Formula:
C26H22N4O4
Molecular Weight:
454.4860000000002 g/mol
Names and Synonyms:
Naphthol Red
JHR 1703L
Brilliant Carmine 7010
Graphtol Red F3RK 70-CN09
F 3RK70
F 2RK
Permanent Red BH 5RK
Naphthol Red 170
KP Plast P-Red 3RH
C.I. PR 170
Graphtol Red F 3RK70
Permanent Red P-FK
Red F 3RK70
Naphthol Red 5R
4708 Permanent Red F 5RK
Eljon Red NRO
Hostaperm Red F 5RK
PR 170
Euderm Red
Naphthol Red 3172
Naphtol Red B 7032C
Novoperm Red F 6RK
Red F 5RK
Permanent Red F 3RK
Lysopac Red 7030C
Sunbrite Red 170
L 1/8 Red F 3RK70
Novoperm Red F 2RK70N
Fuji Fast Red 2200
Seikafast Red 3820
Novoperm Red F 2RK70
Sanyo Brilliant Carmine 7009
Seikafast Red 3891
Sumitone Fast Red BRS
Suimei Fast Red ER
Naphthol AS Red
Novoperm Red F 5RK
Novoperm Red F 3RK
Novoperm Red F 3RK70
Graphtol Red NFB
Pigment Red 170
C.I. 12475
Permanent Red F 3RK70
Permanent Red F 5RK
C.I. Pigment Red 170
4-[2-[4-(Aminocarbonyl)phenyl]diazenyl]-N-(2-ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
2-Naphthalenecarboxamide, 4-[[4-(aminocarbonyl)phenyl]azo]-N-(2-ethoxyphenyl)-3-hydroxy-
2-Naphtho-o-phenetidide, 4-[(p-carbamoylphenyl)azo]-3-hydroxy-
2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-N-(2-ethoxyphenyl)-3-hydroxy-
Identifiers:
SMILES:
CCOc1ccccc1N=C(O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O
InChI:
InChI=1S/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33)
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 |
|---|---|---|
| cas-inchi | InChI=1S/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33) None | Legacy Database |
| cas-inchi-key | InChIKey=BGVYDWVAGZBEMJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Red 170 None | Legacy Database |
| wikipedia-name | Naphthol Red None | Legacy Database |
| LogP | 6.094700000000004 | RDKit |
| molecular_mass | 454.49 g/mol | Legacy Database |
| density | 1.40 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Naphthol_Red None | Legacy Database |
| cas-canonical-smile | O=C(N)C1=CC=C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4OCC)C=C1 None | Legacy Database |
| cas-density | 1.395 g/cm3 None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 454.4860000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 454.16410518400005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 34 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 129.85999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 131.18550000000005 | RDKit |
