Pyridinium, 1-ethyl-,chloride (1:1) (2294-38-4)

The IUPAC name of 1-Ethylpyridinium chloride is 1-Ethylpyridin-1-ium chloride. With the CAS registry number 2294-38-4, it is also named as Pyridinium, 1-ethyl-, chloride (1:1). The product's category is Ionic Liquids; Pyridinium Compounds; Pyridinium Compounds (Ionic Liquids); Synthetic Organic Chemistry. In addition, its molecular formula is C₇H₁₀ClN and its molecular weight is 143.61. Besides, it is beige crystals and agglomerates which should be stored in close container in a cool and dry place. And it also should be stored in dry inert gas.

The other characteristics of 1-Ethylpyridinium chloride can be summarized as: (1)ACD/LogP: -3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.66; (4)ACD/LogD (pH 7.4): -3.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H-Bond Donor: 0; (10)H-Bond Acceptor: 1; (11)Rotatable Bond Count: 1; (12)Exact Mass: 143.050177; (13)MonoIsotopic Mass: 143.050177; (14)Topological Polar Surface Area: 3.9; (15)Heavy Atom Count: 9; (16)Complexity: 55.4; (17)Freely Rotating Bonds: 1.

When you are using this chemical, please be cautious about it as the following: 1-Ethylpyridinium chloride is irritating to eyes, respiratory system and skin. Please wear suitable gloves and eye / face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Cl-].[n+]1(ccccc1)CC
(2)InChI:InChI=1/C7H10N.ClH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
(3)InChIKey:AMFMJCAPWCXUEI-REWHXWOFAB
(4)Std. InChI:InChI=1S/C7H10N.ClH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey:AMFMJCAPWCXUEI-UHFFFAOYSA-M