Home Sulfos N-Benzyl-3-hydroxy-4-Methyl-piperidiniuM Toluene-4-sulfonate

N-Benzyl-3-hydroxy-4-Methyl-piperidiniuM Toluene-4-sulfonate

CAS No.:
384338-21-0
Catalog Number:
AG00C6BA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C6BA
Chemical Name:
N-Benzyl-3-hydroxy-4-Methyl-piperidiniuM Toluene-4-sulfonate
CAS Number:
384338-21-0
MDL Number:
MFCD18205833
IUPAC Name:
1-benzyl-4-methylpiperidin-3-ol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C13H19NO.C7H8O3S/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11,13,15H,7-10H2,1H3;2-5H,1H3,(H,8,9,10)
InChI Key:
IXZHVWWLFJWBQN-UHFFFAOYSA-N
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.166g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
377.499g/mol
Monoisotopic Mass:
377.166g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties