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Molecule
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
Identifiers
CAS Registry Number
21295-57-8
SMILES
Cn1c(=O)cc2c3c(c(NC4CCCCC4)ccc31)C(=O)c1ccccc1-2
InChI Key
JZGUXCXDBKBCDN-UHFFFAOYSA-N
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
Names and Synonyms
- 6-(Cyclohexylamino)-3-Methyl-3H-Naphtho[1,2,3-De]Quinoline-2,7-Dione Synonym
- C.I. Solvent Red 149 Synonym
- Solvent Red 149 Synonym
- LambdaPlast FL Red FGA Synonym
- Xindasol Red 149 Synonym
- Keyplast Fluorescent Red G Synonym
- Keyplast FL Red G Synonym
- Plast Red 8355 Synonym
- 6-(Cyclohexylamino)-3-methyl-3H-dibenzo[f,ij]isoquinoline-2,7-dione Synonym
- Fluorescent Red HFG Synonym
- SR 149 Synonym
- KP Plast Brilliant Pink FHB Synonym
- 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-(cyclohexylamino)-3-methyl- Synonym
- 6-(Cyclohexylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione Synonym
- 6-(Cyclohexylamino)-3-N-methylanthrapyridone Synonym
- Sumiplast Red HFG Synonym
- C.I. 674700 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.44 g/mol | CAS Common Chemistry |
| 358.44100000000003 g/mol | RDKit | |
| 358.441 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 |
| 3 | 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 |
| 4.4945 | RDKit | |
| Molar Refractivity | 108.55320000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3043 | RDKit |
| 0.3 | chempirical lib | |
| Exact Mass | 358.168127944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 358.44 g/mol. Edit any field — others recompute live.
