Home Sulfos [(4-methanesulfonylphenyl)methyl](2-methylpropyl)amine

[(4-methanesulfonylphenyl)methyl](2-methylpropyl)amine

CAS No.:
1248189-66-3
Catalog Number:
AG01C4VR
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
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Product Description
Catalog Number:
AG01C4VR
Chemical Name:
[(4-methanesulfonylphenyl)methyl](2-methylpropyl)amine
CAS Number:
1248189-66-3
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
MDL Number:
MFCD16107625
IUPAC Name:
2-methyl-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine
InChI:
InChI=1S/C12H19NO2S/c1-10(2)8-13-9-11-4-6-12(7-5-11)16(3,14)15/h4-7,10,13H,8-9H2,1-3H3
InChI Key:
PGSBGJUPRJMHON-UHFFFAOYSA-N
SMILES:
CC(CNCc1ccc(cc1)S(=O)(=O)C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.114g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.349g/mol
Monoisotopic Mass:
241.114g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties