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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
Names and Synonyms:
Basic Red 14
3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)
C.I. Basic Red 14
3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride
Aizen Cathilon Brilliant Red 4GH
Calcozine Acrylic Red 4GB
Panacryl Brilliant Red 4G
Sandocryl Brilliant Red B 4G
Sumiacryl Brilliant Red 4G
Deorlene Brilliant Red 4G
Basic Red 14
Synacril Red 4G
Deorlene B Red 4G
Sevron B Red 4G
Sevron Brilliant Red 4G
Synacril Brilliant Red 4G
Astrazon Brilliant Red 4G
Brilliant Red 4G
Genacryl Pink 3G
Intradene Brilliant Red 4G
Atacryl Brilliant Red 4G
Sumiacryl Brilliant Red N 4G
SWT Red 4
Maxilon Red 4G
Maxilon Brilliant Red 4G
Aizen Cathilon Brilliant Red 4GH 200
Basacryl Brilliant Red X 4G
Cathilon Brilliant Red 4GH
C.I. Basic Red 14 chloride
Aizen SWT Red 4
Identifiers:
SMILES:
CN(CCC#N)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)cc1.[Cl-]
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
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 | 379.94 g/mol | CAS Common Chemistry |
| 379.93500000000006 g/mol | RDKit | |
| 379.18152551199995 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 109.29540000000004 | RDKit |
