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Molecule
Basic Red 14
CAS: 12217-48-0 · C23H26ClN3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12217-48-0
- Molecular Formula
- C23H26ClN3
- Molecular Mass
- 379.94 g/mol
Identifiers
CAS Registry Number
12217-48-0
SMILES
CN(CCC#N)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)cc1.[Cl-]
InChI Key
NJIRSTSECXKPCO-UHFFFAOYSA-M
InChI
InChI=1S/C23H26N3.ClH/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;/h5-6,8-15H,7,17H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Basic Red 14 Common Name
- 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1) Synonym
- C.I. Basic Red 14 Synonym
- 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride Synonym
- Aizen Cathilon Brilliant Red 4GH Synonym
- Calcozine Acrylic Red 4GB Synonym
- Panacryl Brilliant Red 4G Synonym
- Sandocryl Brilliant Red B 4G Synonym
- Sumiacryl Brilliant Red 4G Synonym
- Deorlene Brilliant Red 4G Synonym
- Basic Red 14 Synonym
- Synacril Red 4G Synonym
- Deorlene B Red 4G Synonym
- Sevron B Red 4G Synonym
- Sevron Brilliant Red 4G Synonym
- Synacril Brilliant Red 4G Synonym
- Astrazon Brilliant Red 4G Synonym
- Brilliant Red 4G Synonym
- Genacryl Pink 3G Synonym
- Intradene Brilliant Red 4G Synonym
- Atacryl Brilliant Red 4G Synonym
- Sumiacryl Brilliant Red N 4G Synonym
- SWT Red 4 Synonym
- Maxilon Red 4G Synonym
- Maxilon Brilliant Red 4G Synonym
- Aizen Cathilon Brilliant Red 4GH 200 Synonym
- Basacryl Brilliant Red X 4G Synonym
- Cathilon Brilliant Red 4GH Synonym
- C.I. Basic Red 14 chloride Synonym
- Aizen SWT Red 4 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 379.94 g/mol | CAS Common Chemistry |
| 379.93500000000006 g/mol | RDKit | |
| 379.935 g/mol | RDKit | |
| 379.932 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].N#CCCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H26N3.ClH/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;/h5-6,8-15H,7,17H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NJIRSTSECXKPCO-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Basic Red 14 | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 30.04 Ų | RDKit |
| LogP | 1.7598799999999999 | RDKit |
| 1.7599 | RDKit | |
| Molar Refractivity | 109.29540000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3043 | RDKit |
| 0.3 | chempirical lib | |
| Exact Mass | 379.18152551199995 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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| 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 = 379.94 g/mol. Edit any field — others recompute live.
