CAS No.16698-16-1,disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16698-16-1
Name:	disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonate

Formula:	C₁₂H₁₁NO₈S₂·2Na
Molecular Weight:	405.31
Synonyms:	2,7-Naphthalenedisulfonicacid, 4-(acetylamino)-5-hydroxy-, disodium salt (9CI);2,7-Naphthalenedisulfonic acid, 4-acetamido-5-hydroxy-, disodium salt (8CI);Disodium 1-acetamido-8-hydroxy-3,6-naphthalenedisulfonate;Sodium 1-acetamido-8-hydroxynaphthalene-3,6-disulfonate;Disodium 4-acetamido-5-hydroxy-2,7-naphthalenedisulfonate;Disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonate;
EINECS:	205-139-2
Density:	1.801 g/cm3
PSA:	180.49000
LogP:	2.54660

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Specification

The Disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonate, with the CAS registry number 16698-16-1, is also known as 2,7-Naphthalenedisulfonic acid,4-acetamido-5-hydroxy-, disodium salt. Its EINECS number is 205-139-2. This chemical's molecular formula is C₁₂H₁₁NO₈S₂·2Na and molecular weight is 405.31. What's more, its systematic name is Disodium 4-acetamido-5-hydroxy-2,7-naphthalenedisulfonate.

Physical properties of Disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonate are: (1)ACD/LogP: -3.304; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.80; (4)ACD/LogD (pH 7.4): -7.87; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 155.04 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc(NC(=O)C)c2c(c1)cc(cc2O)S([O-])(=O)=O;
(2)Std. InChI: InChI=1S/C12H11NO8S2.2Na/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10;;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2 ;
(3)Std. InChIKey: CJRBREZYNHILPS-UHFFFAOYSA-L;