3-[Bis[2-(methacryloyloxy)ethyl](methyl)ammonio]propane-1-sulfonate
Product Information
Molecular Formula
C16H27NO7S
Molecular Weight
377.45
Description
As a common sulfonate compound, 3-[Bis[2-(methacryloyloxy)ethyl](methyl)ammonio]propane-1-sulfonate has multiple applications in drug delivery systems, especially in disease-specific drug development.
Synonyms
3-[Bis[2-(methacryloyloxy)ethyl](methyl)ammonio]-1-propanesulfonate
IUPAC Name
3-[methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate
SMILES
CC(=C)C(=O)OCC[N+](C)(CCCS(=O)(=O)[O-])CCOC(=O)C(=C)C
InChI
InChI=1S/C16H27NO7S/c1-13(2)15(18)23-10-8-17(5,7-6-12-25(20,21)22)9-11-24-16(19)14(3)4/h1,3,6-12H2,2,4-5H3
InChI Key
OFRYGBGGBLFQNQ-UHFFFAOYSA-N
Purity
>95.0%(T)(HPLC)
Appearance
White to Almost white powder to crystaline
Storage
0-10°C
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
1.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
13
Exact Mass
377.15082337 g/mol
Monoisotopic Mass
377.15082337 g/mol
Topological Polar Surface Area
118Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
559
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2019329187-A1 | Affinity polymers and methods for reducing purine levels in complex mixtures | 2018-04-30 |
