N-Methyl-4-(p-formylstyryl)pyridinium methylsulfate - CAS 74401-04-0
Catalog:
BB054162
Product Name:
N-Methyl-4-(p-formylstyryl)pyridinium methylsulfate
CAS:
74401-04-0
Synonyms:
Pyridinium, 4-[2-(4-formylphenyl)ethenyl]-1-methyl-, methyl sulfate (1:1); 1-Methyl-4-(4-formylstyryl)pyridinium methyl sulfate; 4-[2-(4-Formylphenyl)ethenyl]-1-methylpyridinium methyl sulfate; N-Methyl-4-(p-formylstyryl)pyridinium monomethyl sulfate; SBQ
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BB054162
25 g
$699
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IUPAC Name: 4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzaldehyde;methyl sulfate
Molecular Weight: 335.37
Molecular Formula: C15H14NO.CH3O4S
Canonical SMILES: O=CC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.O=S(=O)([O-])OC
InChI: InChI=1S/C15H14NO.CH4O4S/c1-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13;1-5-6(2,3)4/h2-12H,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key: HQMZBKRNRWIDME-UHFFFAOYSA-M
Purity: ≥95%
GHS Hazard Statement: H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement: P261, P272, P273, P280, P302+P352, P321, P333+P313, P362+P364, and P501
Signal Word: Warning
Complexity: 349
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 1
Exact Mass: 335.08274382
Formal Charge: 0
Heavy Atom Count: 23
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 335.08274382
Rotatable Bond Count: 3
Topological Polar Surface Area: 95.8
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
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Pyridines
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