3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate


Chemical Name: 3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate
CAS Number: 570412-84-9
Product Number: AG00EF9W(AGN-PC-015JTW)
Synonyms:
MDL No: MFCD06411435
Molecular Formula: C12H19NO3S
Molecular Weight: 257.3492

Identification/Properties


Computed Properties
Molecular Weight:
257.348g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
257.109g/mol
Monoisotopic Mass:
257.109g/mol
Topological Polar Surface Area:
69.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
305
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:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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