3-Carboxy-1-methyl pyridinium methylsulfate supplier

Name
N-METHYLNICOTINIC ACID-BETAINE SULFATE
EINECS 252-040-5
CAS No. 34452-78-3
Density
Solubility
Melting Point
Formula C₈H₁₁NO₆S
Boiling Point
Molecular Weight 249.2410
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Carboxy-1-methylpyridinium methyl sulphate;
PSA 115.99000
LogP 0.38310

3-Carboxy-1-methyl pyridinium methylsulfate Specification

The 3-Carboxy-1-methyl pyridinium methylsulfate, with the CAS registry number 34452-78-3, is also known as 3-Carboxy-1-methylpyridinium methyl sulphate. Its EINECS registry number is 252-040-5. This chemical's molecular formula is C₈H₁₁NO₆S and molecular weight is 249.2410. What's more, its IUPAC name is 1-Methylpyridin-1-ium-3-carboxylic acid; methyl sulfate.

Physical properties about 3-Carboxy-1-methyl pyridinium methylsulfate are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 115.99 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: C[n+]1cccc(c1)C(=O)O.[O-]S(=O)(=O)OC
(2) InChI: InChI=1/C7H7NO2.CH4O4S/c1-8-4-2-3-6(5-8)7(9)10;1-5-6(2,3)4/h2-5H,1H3;1H3,(H,2,3,4)
(3) InChIKey: CEHBZQVUCLBGSH-UHFFFAOYAW

Product Name

N-METHYLNICOTINIC ACID-BETAINE SULFATE

3-Carboxy-1-methyl pyridinium methylsulfate Specification

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