2-Methyl-5-(methylsulfonyl)aniline


Chemical Name: 2-Methyl-5-(methylsulfonyl)aniline
CAS Number: 1671-48-3
Product Number: AG001X4T(AGN-PC-0WAM2O)
Synonyms:
MDL No: MFCD09258802
Molecular Formula: C8H11NO2S
Molecular Weight: 185.2434

Identification/Properties


Properties
MP:
117-118℃(Solv: methanol (67-56-1))
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
185.241g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
185.051g/mol
Monoisotopic Mass:
185.051g/mol
Topological Polar Surface Area:
68.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
242
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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