ALIZARIN ASTROL

• CAS: 6408-51-1
• Catalog Number: ACM6408511
• Category: Acid Dyes
• Molecular Weight: 444.44
• Molecular Formula: C₂₂H₁₇N₂NaO₅S
• Synonyms: Acilan Astrol B, Solway Celestol B, Superian Astrol B, Alizarine Blue AS, Alizarine Turquoise B, Erio Fast Blue 3GS, Fenazo Light Blue AA, Alizarine Astrol B-CF, Alizarine Light Blue 3G, C.I. Acid Blue 27, D and C Blue No. 5, Alizarine Turquoise Blue B, Erio Anthracene Brilliant Blue 3G, NSC401611, C.I. 61530, m-Toluenesulfonic acid, 6-[[4-(methylamino)-1-anthraquinonyl]amino]-, monosodium salt, 6408-51-1, Benzenesulfonic acid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl-, monosodium salt
• IUPAC Name: 5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid; sodium
• Canonical SMILES: CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+]
• InChI Key: NUFVZFLCRLMJCW-UHFFFAOYSA-N
• Density: 1.489g/cm³
• EC Number: 229-060-8
• Exact Mass: 444.07600
• H-Bond Acceptor: 7
• H-Bond Donor: 3

Custom Q&A

What is the molecular formula of Alizarin Astrol?

The molecular formula of Alizarin Astrol is C22H17N2NaO5S.

What is the molecular weight of Alizarin Astrol?

The molecular weight of Alizarin Astrol is 444.4 g/mol.

What is the IUPAC name of Alizarin Astrol?

The IUPAC name of Alizarin Astrol is sodium;5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate.

What is the InChI of Alizarin Astrol?

The InChI of Alizarin Astrol is InChI=1S/C22H18N2O5S.Na/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25;/h3-11,23-24H,1-2H3,(H,27,28,29);/q;+1/p-1.

What is the InChIKey of Alizarin Astrol?

The InChIKey of Alizarin Astrol is RIJLWEYDGZAVGC-UHFFFAOYSA-M.

What is the Canonical SMILES of Alizarin Astrol?

The Canonical SMILES of Alizarin Astrol is CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].

What is the CAS number of Alizarin Astrol?

The CAS number of Alizarin Astrol is 6408-51-1.

How many hydrogen bond donor counts does Alizarin Astrol have?

Alizarin Astrol has 2 hydrogen bond donor counts.

What is the topological polar surface area of Alizarin Astrol?

The topological polar surface area of Alizarin Astrol is 124 Ų.

How many covalently-bonded unit counts does Alizarin Astrol have?

Alizarin Astrol has a covalently-bonded unit count, but the specific number is not provided in the reference.