1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt


Chemical Name: 1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt
CAS Number: 13177-41-8
Product Number: AG003I7Y(AGN-PC-0PJJZN)
Synonyms:
MDL No:
Molecular Formula: C23H49NO3S
Molecular Weight: 419.7051

Identification/Properties


Properties
MP:
257-260 °C (dec.)(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
419.709g/mol
XLogP3:
8.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
20
Exact Mass:
419.343g/mol
Monoisotopic Mass:
419.343g/mol
Topological Polar Surface Area:
65.6A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
416
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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