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Molecule
Basic Red 12
CAS: 6320-14-5 · C25H29ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6320-14-5
- Molecular Formula
- C25H29ClN2
- Molecular Mass
- 392.97 g/mol
Identifiers
CAS Registry Number
6320-14-5
SMILES
CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[Cl-]
InChI Key
QCGOYKXFFGQDFY-UHFFFAOYSA-M
InChI
InChI=1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1
Names and Synonyms
- Basic Red 12 Common Name
- 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-, chloride (1:1) Synonym
- 3H-Indolium, 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-, chloride Synonym
- 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride Synonym
- 1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-3H-indolium chloride Synonym
- C.I. 48070 Synonym
- Acronol Phloxine FF Synonym
- Aizen Astra Phloxine FF Synonym
- Astra Phloxine G extra Synonym
- Brilliant Pink AS Synonym
- C.I. Basic Red 12 Synonym
- Cosmophloxine F Synonym
- Tokyo Aniline Astraphloxine FF Synonym
- Astra Phloxine Synonym
- Astraphloxin Synonym
- Astraphloxin G Synonym
- Astra Phloxine G Synonym
- Verona Paper Red Synonym
- Aizen Astra Phloxine FF Conc. Synonym
- Atlantic Paper Red P Synonym
- Astrafloxin Synonym
- Astrafloxin F Synonym
- Astra Phloxine F Synonym
- 1,3,3,1′,3′,3′-Hexamethylindocarbocyanine chloride Synonym
- Basic Red 12 Synonym
- Astra Phloxine FF Synonym
- 1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)propenyl]-3H-indolium chloride Synonym
- Amezin Brilliant R Red P Liquid Synonym
- Astrafloxin FF Synonym
- 1,3,3-Trimethyl-2-(3-(1,3,3-trimethylindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 392.97 g/mol | CAS Common Chemistry |
| 392.97400000000005 g/mol | RDKit | |
| 392.974 g/mol | RDKit | |
| 392.971 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].C=1C=CC2=C(C1)N(C(=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C2(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=QCGOYKXFFGQDFY-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Basic Red 12 | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.25 Ų | RDKit |
| LogP | 2.5643000000000002 | RDKit |
| 2.5643 | RDKit | |
| Molar Refractivity | 115.41340000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.32 | RDKit |
| Exact Mass | 392.201926608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 392.97 g/mol. Edit any field — others recompute live.
