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Basic Red 12
CAS: 6320-14-5 | C25H29ClN2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
6320-14-5
Molecular Formula:
C25H29ClN2
Molecular Mass:
392.97 g/mol
Names and Synonyms:
Basic Red 12
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)
3H-Indolium, 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-, chloride
3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride
1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-3H-indolium chloride
C.I. 48070
Acronol Phloxine FF
Aizen Astra Phloxine FF
Astra Phloxine G extra
Brilliant Pink AS
C.I. Basic Red 12
Cosmophloxine F
Tokyo Aniline Astraphloxine FF
Astra Phloxine
Astraphloxin
Astraphloxin G
Astra Phloxine G
Verona Paper Red
Aizen Astra Phloxine FF Conc.
Atlantic Paper Red P
Astrafloxin
Astrafloxin F
Astra Phloxine F
1,3,3,1′,3′,3′-Hexamethylindocarbocyanine chloride
Basic Red 12
Astra Phloxine FF
1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)propenyl]-3H-indolium chloride
Amezin Brilliant R Red P Liquid
Astrafloxin FF
1,3,3-Trimethyl-2-(3-(1,3,3-trimethylindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium chloride
Identifiers:
SMILES:
CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[Cl-]
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
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 | 392.97 g/mol | CAS Common Chemistry |
| 392.97400000000005 g/mol | RDKit | |
| 392.201926608 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 115.41340000000004 | RDKit |
