S-Butyrylthiocholine iodide


Chemical Name: S-Butyrylthiocholine iodide
CAS Number: 1866-16-6
Product Number: AG007S9M(AGN-PC-0WAF11)
Synonyms:
MDL No:
Molecular Formula: C9H20INOS
Molecular Weight: 317.2307

Identification/Properties


Computed Properties
Molecular Weight:
317.229g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
317.031g/mol
Monoisotopic Mass:
317.031g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
140
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:
2
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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