Home Sulfos 1-[4-(ethanesulfonyl)phenyl]ethan-1-amine

1-[4-(ethanesulfonyl)phenyl]ethan-1-amine

CAS No.:
805951-56-8
Catalog Number:
AG01B9SO
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
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Product Description
Catalog Number:
AG01B9SO
Chemical Name:
1-[4-(ethanesulfonyl)phenyl]ethan-1-amine
CAS Number:
805951-56-8
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD05215406
IUPAC Name:
1-(4-ethylsulfonylphenyl)ethanamine
InChI:
InChI=1S/C10H15NO2S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChI Key:
PECBAIJATAJPMN-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(cc1)C(N)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties