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122268-84-2

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Basic Information
CAS No.: 122268-84-2
Name: 4-(2,6-dimethylphenyl)-1-methylpyridinium
Molecular Structure:
Molecular Structure of 122268-84-2 (4-(2,6-dimethylphenyl)-1-methylpyridinium)
Formula: C14H16N
Molecular Weight: 198.28
Synonyms: 1-Methyl-4-(2',6'-dimethylphenyl)pyridinium;
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Specification

The Pyridinium, 4-(2, 6-dimethylphenyl)-1-methyl-, with the CAS registry number 122268-84-2, is also known as Pyridin-1-ium, 4-(2, 6-dimethylphenyl)-1-methyl-. This chemical's molecular formula is C14H16N and molecular weight is 198.28. What's more, its systematic name is 4-(2, 6-Dimethylphenyl)-1-methylpyridinium.

Physical properties about Pyridinium, 4-(2, 6-dimethylphenyl)-1-methyl- are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.89; (8)ACD/KOC (pH 7.4): 13.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.88 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: c2c(c(c1cc[n+](cc1)C)c(cc2)C)C
(2) InChI: InChI=1/C14H16N/c1-11-5-4-6-12(2)14(11)13-7-9-15(3)10-8-13/h4-10H,1-3H3/q+1
(3) InChIKey: AZIDYVFKCXCEST-UHFFFAOYAZ