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CAS No.: | 85118-38-3 |
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Name: | 1-[2-(2-chloroethoxy)ethyl]pyridinium chloride |
Molecular Structure: | |
Formula: | C9H13Cl2NO |
Molecular Weight: | 222.11 |
Synonyms: | Pyridinium,1-[2-(2-chloroethoxy)ethyl]-, chloride (9CI);1-[2-(2-Chloroethoxy)ethyl]pyridinium chloride;1-[2-(2-Chloroethoxy)ethyl]pyridin-1-ium chloride; |
EINECS: | 285-692-4 |
PSA: | 13.11000 |
LogP: | -1.76650 |
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The Pyridinium,1-[2-(2-chloroethoxy)ethyl]-, chloride (1:1), with the CAS registry number 85118-38-3, is also known as 1-[2-(2-Chloroethoxy)ethyl]pyridinium chloride. Its EINECS number is 285-692-4. This chemical's molecular formula is C9H13Cl2NO and molecular weight is 222.11. What's more, its systematic name is 1-[2-(2-chloroethoxy)ethyl]pyridin-1-ium chloride.
Physical properties of Pyridinium,1-[2-(2-chloroethoxy)ethyl]-, chloride (1:1) are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 13.11 Å2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=[N+](C=C1)CCOCCCl.[Cl-]
(2)InChI: InChI=1S/C9H13ClNO.ClH/c10-4-8-12-9-7-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-9H2;1H/q+1;/p-1
(3)InChIKey: PTMSYUSEEYPPMU-UHFFFAOYSA-M