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Molecule
Amaranth (Dye)
CAS: 915-67-3 · C20H14N2Na3O10S3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 915-67-3
- Molecular Formula
- C20H14N2Na3O10S3
- Molecular Mass
- 607.51 g/mol
Identifiers
CAS Registry Number
915-67-3
SMILES
O=S(=O)(O)c1ccc2c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1.[Na].[Na].[Na]
InChI Key
BYNSGXZXHGCSIY-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;
Names and Synonyms
- Amaranth (Dye) Synonym
- Amaranth R Synonym
- D and C Red No. 2 Synonym
- Acid Amaranth J Synonym
- Japan Red 2 Synonym
- Japan Red No. 2 Synonym
- Japan Food Red No. 2 Synonym
- Edicol Supra Amaranth AS Synonym
- Hidacid Amaranth 21-6008 Synonym
- Rouge Solid E Synonym
- Amaranth 85 Synonym
- Cranberry Red Synonym
- Food Red No. 2 Synonym
- Victory Scarlet Synonym
- D&C Red No. 2 Synonym
- FD&C Red 2 Synonym
- Cogilor Red 318.11 Synonym
- D & C Red 2 Synonym
- Water Red 176574 Synonym
- Euorcert Allura 311801 Synonym
- Necol Amaranth Synonym
- PuriColor Red ARE 27 Synonym
- Borunil Red A-B Synonym
- Amaranth 307018 Synonym
- Basovit Red 470E Synonym
- Ritacid Red G Synonym
- Sandal Amaranth I Synonym
- Triacid Amaranth A Synonym
- Amaranth 36010 Synonym
- Xiancai Red Synonym
- Sicomet Amaranth 85E123 Synonym
- Sicomet Amaranth Synonym
- Carmine red E 123 Synonym
- Amaranth red Synonym
- E 123 Synonym
- 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:3) Synonym
- C.I. Acid Red 27, trisodium salt Synonym
- 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-, trisodium salt Synonym
- C.I. Acid Red 27 Synonym
- Bordeaux S Synonym
- 1302 Red Synonym
- 1508 Red Synonym
- C.I. 16185 Synonym
- Acid Amaranth I Synonym
- Acid Amaranth Synonym
- Acid Amaranth N Synonym
- Acid Leather Red I 2BW Synonym
- Acid Leather Rubine S Synonym
- Aizen Amaranth Synonym
- Amacid Amaranth Synonym
- Amaranth A Synonym
- Amaranth S Synonym
- Amaranth BPC Synonym
- Amaranth B Synonym
- Amaranthe Synonym
- Amaranth Extra Synonym
- Amaranth Lake Synonym
- Amaranth S Specially Pure Synonym
- Amaranth USP Synonym
- Amaranth WD Synonym
- Azo Red R Synonym
- S-Azo Rubine Synonym
- Azo Rubine S-FQ Synonym
- Azo Rubine SF Synonym
- Azo Ruby S Synonym
- Bordeaux S Extra Conc. A Export Synonym
- Bordeaux S Extra Pure A Synonym
- Canacert Amaranth Synonym
- Certicol Amaranth S Synonym
- C.I. Food Red 9 Synonym
- Daishiki Amaranth Synonym
- Dolkwal Amaranth Synonym
- Edicol Supra Amaranth A Synonym
- Eurocert Amaranth Synonym
- FD and C Red No. 2 Synonym
- Food Red 2 Synonym
- Fruit Red A Geigy Synonym
- HD Amaranth B Synonym
- HD Amaranth Supra Synonym
- Hexacert Red No. 2 Synonym
- Hexacol Amaranth B Extra Synonym
- Hidacid Amaranth Synonym
- Hispacid Red AM Synonym
- 2-Hydroxy-1,1′-azonaphthalene-3,6,4′-trisulfonic acid trisodium salt Synonym
- Java Amaranth Synonym
- Kayaku Amaranth Synonym
- Kayaku Food Colour Red No. 2 Synonym
- KCA Foodcol Amaranth A Synonym
- Kiton Rubine S Synonym
- Lissamine Amaranth AC Synonym
- Maple Amaranth Synonym
- Naphthol Red S Synonym
- Naphthol Red S Conc. Specially Pure Synonym
- Naphthol Red LZS Synonym
- Naphthol Red SI Synonym
- Naphthol Red S Specially Pure Synonym
- Neklacid Red A Synonym
- Rakuto Amaranth Synonym
- San-ei Amaranth Synonym
- Shikiso Amaranth Synonym
- Solar Red O Synonym
- 1-(4-Sulfo-1-naphthylazo)-2-naphthol-3,6-disulfonic acid trisodium salt Synonym
- Takaoka Amaranth Synonym
- Tertracid Red A Synonym
- Toyo Amaranth Synonym
- Trisodium salt of 1-(4-sulfo-1-naphthylazo)-2-naphthol-3,6-disulfonic acid Synonym
- Usacert Red No. 2 Synonym
- Victoria Rubine O Synonym
- Whortleberry Red Synonym
- Wool Bordeaux 6RK Synonym
- Wool Red 40F Synonym
- Amaranth Synonym
- Amaranth (dye) Synonym
- Edicol Amaranth Synonym
- Red No. 2 Synonym
- Food Red 9 Synonym
- L Red 3 Synonym
- L Red Z 3050 Synonym
- Azorubin S Synonym
- Fast Red Synonym
- Dye Red Raspberry Synonym
- Acid Red 27 Synonym
- Red dye no. 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 607.51 g/mol | CAS Common Chemistry |
| 607.5070000000003 g/mol | RDKit | |
| 607.507 g/mol | RDKit | |
| 610.51 g/mol | chempirical lib | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.50 g/cm3 (approx) | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Amaranth_(dye) | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)O)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;; | CAS Common Chemistry |
| InChI Key | InChIKey=BYNSGXZXHGCSIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Acid Red 27 | CAS Common Chemistry |
| Amaranth (dye) | CAS Common Chemistry | |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 208.05999999999995 Ų | RDKit |
| 208.06 Ų | RDKit | |
| LogP | 2.7116999999999996 | RDKit |
| 2.7117 | RDKit | |
| Molar Refractivity | 140.44259999999997 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 606.9503654879999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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40
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 = 607.51 g/mol; density = 1.500 g/mL. Edit any field — others recompute live.
