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31648-12-1

31648-12-1 | 1-(4-Hydroxy-4-(3-thienyl)butyl)-1-methylpiperidinium iodide

CAS No: 31648-12-1 Catalog No: AG00CYO6 MDL No:

Product Description

Catalog Number:
AG00CYO6
Chemical Name:
1-(4-Hydroxy-4-(3-thienyl)butyl)-1-methylpiperidinium iodide
CAS Number:
31648-12-1
IUPAC Name:
4-(1-methylpiperidin-1-ium-1-yl)-1-thiophen-3-ylbutan-1-ol;iodide
InChI:
InChI=1S/C14H24NOS.HI/c1-15(8-3-2-4-9-15)10-5-6-14(16)13-7-11-17-12-13;/h7,11-12,14,16H,2-6,8-10H2,1H3;1H/q+1;/p-1
InChI Key:
DBUGFUSHLHCFIU-UHFFFAOYSA-M

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.062g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
381.316g/mol
Monoisotopic Mass:
381.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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