3-[dimethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azaniumyl]propane-1-sulfonate


Chemical Name: 3-[dimethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azaniumyl]propane-1-sulfonate
CAS Number: 14933-08-5
Product Number: AG00HXPF(AGN-PC-07Y4K8)
Synonyms:
MDL No: MFCD00036909
Molecular Formula: C17H37NO3S
Molecular Weight: 335.5456

Identification/Properties


Properties
MP:
250-260 °C (dec.)
BP:
250-260°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Solubility:
H2O: 1 M at 20 °C, clear, colorless
Computed Properties
Molecular Weight:
335.547g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
14
Exact Mass:
335.249g/mol
Monoisotopic Mass:
335.249g/mol
Topological Polar Surface Area:
65.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
334
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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