Benzenemethanamine, 3-ethoxy-4-methoxy-a-[(methylsulfonyl)methyl]-


Chemical Name: Benzenemethanamine, 3-ethoxy-4-methoxy-a-[(methylsulfonyl)methyl]-
CAS Number: 253168-94-4
Product Number: AG00I4U2(AGN-PC-0R14O9)
Synonyms:
MDL No:
Molecular Formula: C12H19NO4S
Molecular Weight: 273.3486

Identification/Properties


Computed Properties
Molecular Weight:
273.347g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
273.103g/mol
Monoisotopic Mass:
273.103g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
339
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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