Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-


Chemical Name: Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-
CAS Number: 15985-39-4
Product Number: AG001RGK(AGN-PC-0O4K98)
Synonyms:
MDL No:
Molecular Formula: C5H12N2O3S
Molecular Weight: 180.2254

Identification/Properties


Properties
MP:
>210 °C (dec.)(lit.)
BP:
352.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.6430 (estimate)
Computed Properties
Molecular Weight:
180.222g/mol
XLogP3:
-1.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
180.057g/mol
Monoisotopic Mass:
180.057g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
244
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
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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