3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate


Chemical Name: 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate
CAS Number: 15178-76-4
Product Number: AG00HXWT(AGN-PC-0KP0EA)
Synonyms:
MDL No: MFCD00036912
Molecular Formula: C13H29NO3S
Molecular Weight: 279.4393

Identification/Properties


Computed Properties
Molecular Weight:
279.439g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
10
Exact Mass:
279.187g/mol
Monoisotopic Mass:
279.187g/mol
Topological Polar Surface Area:
65.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
281
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-H317-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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