Benzenemethanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt


Chemical Name: Benzenemethanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt
CAS Number: 81239-45-4
Product Number: AG003IS0(AGN-PC-0UJ1Q2)
Synonyms:
MDL No:
Molecular Formula: C12H19NO3S
Molecular Weight: 257.3492

Identification/Properties


Properties
MP:
242-247°C
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
257.348g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
257.109g/mol
Monoisotopic Mass:
257.109g/mol
Topological Polar Surface Area:
65.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
300
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:
H302-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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