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Basic Information
CAS No.: 68259-00-7
Name: methyl 1-methyl-4-[(methylphenylhydrazono)methyl]pyridinium sulphate
Molecular Structure:
Molecular Structure of 68259-00-7 (methyl 1-methyl-4-[(methylphenylhydrazono)methyl]pyridinium sulphate)
Formula: C15H19N3O4S
Molecular Weight: 337.3941
Synonyms: Pyridinium, 1-methyl-4-((methylphenylhydrazono)methyl)-, methyl sulfate;N-methyl-N-[(1-methylpyridin-4-yl)methylideneamino]aniline; sulfonatooxymethane;Basic yellow 87;
EINECS: 269-503-2
Density: 0.4g/cm3 at 20℃
PSA: 105.29000
LogP: 2.37520
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Specification

The Methyl 1-methyl-4-((methylphenylhydrazono)methyl)pyridinium sulphate is an organic compound with the formula C15H19N3O4S. The IUPAC name of this chemical is N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;methyl sulfate. With the CAS registry number 68259-00-7, it is also named as Pyridinium, 1-methyl-4-((2-methyl-2-phenylhydrazinylidene)methyl)-, methyl sulfate (1:1).

The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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 acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Rotatable Bond Count: 3; (13)Exact Mass: 337.109627; (14)MonoIsotopic Mass: 337.109627; (15)Topological Polar Surface Area: 94.3; (16)Heavy Atom Count: 23; (17)Complexity: 329; (18)Defined Bond StereoCenter Count: 1; (19)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure. 
1. SMILES: [O-]S(=O)(=O)OC.N(/N(c1ccccc1)C)=C\c2cc[n+](cc2)C;
2. InChI: InChI=1/C14H16N3.CH4O4S/c1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-5-6(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1.