Home Sulfos 1-benzylpyrrolidin-3-yl methanesulfonate

1-benzylpyrrolidin-3-yl methanesulfonate

CAS No.:
104016-82-2
Catalog Number:
AG01ACEW
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
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Product Description
Catalog Number:
AG01ACEW
Chemical Name:
1-benzylpyrrolidin-3-yl methanesulfonate
CAS Number:
104016-82-2
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
MDL Number:
MFCD20487884
IUPAC Name:
(1-benzylpyrrolidin-3-yl) methanesulfonate
InChI:
InChI=1S/C12H17NO3S/c1-17(14,15)16-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:
NZIDTDIDEPGKHB-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OC1CCN(C1)Cc1ccccc1
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.332g/mol
Monoisotopic Mass:
255.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties