Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Alizarine astrol

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Alizarine astrol

EINECS 229-060-8
CAS No. 6408-51-1 Density 1.489g/cm3
PSA 123.78000 LogP 4.68660
Solubility N/A Melting Point N/A
Formula C22H17N2NaO5S Boiling Point N/A
Molecular Weight 444.44 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6408-51-1 (ALIZARIN ASTROL) Hazard Symbols N/A
Synonyms

Benzenesulfonicacid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl-,monosodium salt (9CI);Alizarine blue AS;Acilan astrol B;

 

Alizarine astrol Specification

The Alizarine astrol, with the CAS registry number 6408-51-1, is also known as Alizarine blue AS. It belongs to the product categories of Aminoanthraquinones; Anthraquinones; Anthraquinonesulfonic Acids. Its EINECS registry number is 229-060-8. This chemical's molecular formula is C22H17N2NaO5S and molecular weight is 444.44. What's more, its IUPAC name is Sodium 5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate.

Physical properties about Alizarine astrol are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 103.37 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)c1cc(ccc1Nc4c3C(=O)c2ccccc2C(=O)c3c(cc4)NC)C
(2) InChI: InChI=1/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
(3) InChIKey: RIJLWEYDGZAVGC-REWHXWOFAZ

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 6408-51-1