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CAS No.: | 21937-57-5 |
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Name: | 1-Benzyl-4-chloropiperidinium chloride |
Molecular Structure: | |
Formula: | C12H17Cl2N |
Molecular Weight: | 246.17608 |
Synonyms: | 1-benzyl-4-chloropiperidinium chloride;1-Benzyl-4-chloropiperidine hydrochloride |
EINECS: | 244-668-3 |
PSA: | 3.24000 |
LogP: | 3.62970 |
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The 1-Benzyl-4-chloropiperidinium chloride, with the CAS registry number 21937-57-5, is also known as 1-Benzyl-4-chloro-piperidin-1-ium chloride. Its EINECS registry number is 244-668-3. This chemical's molecular formula is C12H17Cl2N and molecular weight is 246.17608. What's more, its IUPAC name is called 1-Benzyl-4-chloropiperidine hydrochloride.
Physical properties about 1-Benzyl-4-chloropiperidinium chloride are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].ClC2CC[NH+](Cc1ccccc1)CC2
(2) InChI: InChI=1/C12H16ClN.ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2;1H
(3) InChIKey: OHKKMIMUBHLTNF-UHFFFAOYAO