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6-(Cyclohexylamino)-3-Methyl-3H-Naphtho[1,2,3-De]Quinoline-2,7-Dione
CAS: 21295-57-8 | C23H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21295-57-8
Molecular Formula:
C23H22N2O2
Molecular Mass:
358.44 g/mol
Names and Synonyms:
6-(Cyclohexylamino)-3-Methyl-3H-Naphtho[1,2,3-De]Quinoline-2,7-Dione
C.I. Solvent Red 149
Solvent Red 149
LambdaPlast FL Red FGA
Xindasol Red 149
Keyplast Fluorescent Red G
Keyplast FL Red G
Plast Red 8355
6-(Cyclohexylamino)-3-methyl-3H-dibenzo[f,ij]isoquinoline-2,7-dione
Fluorescent Red HFG
SR 149
KP Plast Brilliant Pink FHB
3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-(cyclohexylamino)-3-methyl-
6-(Cyclohexylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
6-(Cyclohexylamino)-3-N-methylanthrapyridone
Sumiplast Red HFG
C.I. 674700
Identifiers:
SMILES:
Cn1c(=O)cc2c3c(c(NC4CCCCC4)ccc31)C(=O)c1ccccc1-2
InChI:
InChI=1S/C23H22N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h5-6,9-14,24H,2-4,7-8H2,1H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.44 g/mol | CAS Common Chemistry |
| 358.44100000000003 g/mol | RDKit | |
| 358.168127944 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2C=3C=CC=CC3C(=O)C=4C(=CC=C(C24)N1C)NC5CCCCC5 | CAS Common Chemistry |
| InChI | InChI=1S/C23H22N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h5-6,9-14,24H,2-4,7-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JZGUXCXDBKBCDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-(Cyclohexylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 51.1 Ų | RDKit |
| LogP | 4.494500000000004 | RDKit |
| Molar Refractivity | 108.55320000000003 | RDKit |
