(S)-1-(4-(Methylsulfonyl)phenyl)ethanamine


Chemical Name: (S)-1-(4-(Methylsulfonyl)phenyl)ethanamine
CAS Number: 1037798-64-3
Product Number: AG008TOJ(AGN-PC-0WAKPK)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2S
Molecular Weight: 199.2700

Identification/Properties


Computed Properties
Molecular Weight:
199.268g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
199.067g/mol
Monoisotopic Mass:
199.067g/mol
Topological Polar Surface Area:
68.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
247
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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