CAS No.34892-17-6,Niclosamide piperazine salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34892-17-6
Name:	Niclosamide piperazine salt

Formula:	C₁₃H₈Cl₂N₂O₄^.C₄H₁₀N₂
Molecular Weight:	413.25
Synonyms:	5-Chloro-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; piperazine;
EINECS:	252-274-8
Boiling Point:	424.5 °C at 760 mmHg
Flash Point:	210.5 °C
Appearance:	COA
PSA:	119.21000
LogP:	4.29250

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Specification

The Niclosamide piperazine salt, with the CAS registry number 34892-17-6, is also known as 5-Chloro-N-(2-chloro-4-nitrophenyl)salicylamide compound with piperazine. Its EINECS number is 252-274-8. This chemical's molecular formula is C₁₃H₈Cl₂N₂O₄^.C₄H₁₀N₂ and formula weight is 413.25. What's more, its IUPAC name is called 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; piperazine.

Physical properties of Niclosamide piperazine salt: (1)ACD/LogP: 5.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 7474.72; (6)ACD/BCF (pH 7.4): 4373; (7)ACD/KOC (pH 5.5): 20567.83; (8)ACD/KOC (pH 7.4): 12032.98; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 210.5 °C; (13)Enthalpy of Vaporization: 70.52 kJ/mol; (14)Boiling Point: 424.5 °C at 760 mmHg; (15)Vapour Pressure: 8.35E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCN1.C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
(2)InChI: InChI=1S/C13H8Cl2N2O4.C4H10N2/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h1-6,18H,(H,16,19);5-6H,1-4H2
(3)InChIKey: IAIUNINVFIUGNZ-UHFFFAOYSA-N