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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
Amaranth (Dye)
Amaranth R
D and C Red No. 2
Acid Amaranth J
Japan Red 2
Japan Red No. 2
Japan Food Red No. 2
Edicol Supra Amaranth AS
Hidacid Amaranth 21-6008
Rouge Solid E
Amaranth 85
Cranberry Red
Food Red No. 2
Victory Scarlet
D&C Red No. 2
FD&C Red 2
Cogilor Red 318.11
D & C Red 2
Water Red 176574
Euorcert Allura 311801
Necol Amaranth
PuriColor Red ARE 27
Borunil Red A-B
Basovit Red 470E
Ritacid Red G
Sandal Amaranth I
Triacid Amaranth A
Amaranth 36010
Xiancai Red
Sicomet Amaranth 85E123
Sicomet Amaranth
Carmine red E 123
Amaranth red
E 123
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:3)
C.I. Acid Red 27, trisodium salt
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-, trisodium salt
C.I. Acid Red 27
Bordeaux S
1302 Red
1508 Red
C.I. 16185
Acid Amaranth I
Acid Amaranth
Acid Amaranth N
Acid Leather Red I 2BW
Acid Leather Rubine S
Aizen Amaranth
Amacid Amaranth
Amaranth A
Amaranth S
Amaranth BPC
Amaranth B
Amaranthe
Amaranth Extra
Amaranth Lake
Amaranth S Specially Pure
Amaranth USP
Amaranth WD
Azo Red R
S-Azo Rubine
Azo Rubine S-FQ
Azo Rubine SF
Azo Ruby S
Bordeaux S Extra Conc. A Export
Bordeaux S Extra Pure A
Canacert Amaranth
Certicol Amaranth S
C.I. Food Red 9
Daishiki Amaranth
Dolkwal Amaranth
Edicol Supra Amaranth A
Eurocert Amaranth
FD and C Red No. 2
Food Red 2
Fruit Red A Geigy
HD Amaranth B
HD Amaranth Supra
Hexacert Red No. 2
Hexacol Amaranth B Extra
Hidacid Amaranth
Hispacid Red AM
2-Hydroxy-1,1′-azonaphthalene-3,6,4′-trisulfonic acid trisodium salt
Java Amaranth
Kayaku Amaranth
Kayaku Food Colour Red No. 2
KCA Foodcol Amaranth A
Kiton Rubine S
Lissamine Amaranth AC
Maple Amaranth
Naphthol Red S
Naphthol Red S Conc. Specially Pure
Naphthol Red LZS
Naphthol Red SI
Naphthol Red S Specially Pure
Neklacid Red A
Rakuto Amaranth
San-ei Amaranth
Shikiso Amaranth
Solar Red O
1-(4-Sulfo-1-naphthylazo)-2-naphthol-3,6-disulfonic acid trisodium salt
Takaoka Amaranth
Tertracid Red A
Toyo Amaranth
Trisodium salt of 1-(4-sulfo-1-naphthylazo)-2-naphthol-3,6-disulfonic acid
Usacert Red No. 2
Victoria Rubine O
Whortleberry Red
Wool Bordeaux 6RK
Wool Red 40F
Amaranth
Amaranth (dye)
Edicol Amaranth
Red No. 2
Food Red 9
L Red 3
L Red Z 3050
Azorubin S
Fast Red
Dye Red Raspberry
Acid Red 27
Red dye no. 2
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 |
