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Amaranth 307018
CAS: 915-67-3 | C20H14N2Na3O10S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
915-67-3
Molecular Formula:
C20H14N2Na3O10S3
Molecular Weight:
607.5070000000003 g/mol
Names and Synonyms:
Amaranth 307018
Synonym
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
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
Identifiers:
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:
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);;;
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 607.51 g/mol | Legacy Database |
| density | 1.50 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Amaranth_(dye) None | Legacy Database |
| cas-canonical-smile | [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 None | Legacy Database |
| cas-density | 1.50 g/cm3 (approx) None | Legacy Database |
| cas-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);;; None | Legacy Database |
| cas-inchi-key | InChIKey=BYNSGXZXHGCSIY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | C.I. Acid Red 27 None | Legacy Database |
| wikipedia-name | Amaranth (dye) None | Legacy Database |
| LogP | 2.7116999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 607.5070000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 606.9503654879999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 38 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 208.05999999999995 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 140.44259999999997 | RDKit |