AG00I9B6

5205-95-8 | 1-Propanaminium,N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propenyl)amino]propyl]-3-sulfo-,inner salt

AG00I9B6

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CAS Number	5205-95-8
Catalog Number	AG00I9B6(AGN-PC-0SBZ3R)
Chemical Name	1-Propanaminium,N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propenyl)amino]propyl]-3-sulfo-,inner salt
EC Number	226-003-9
IUPAC Name	3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate
InChI	InChI=1S/C12H24N2O4S/c1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18/h1,5-10H2,2-4H3,(H-,13,15,16,17,18)
InChI Key	OIETYYKGJGVJFT-UHFFFAOYSA-N
MDL Number	MFCD00080642
Molecular Formula	C12H24N2O4S
Molecular Weight	292.3950
SMILES	C([N+](CCCNC(=O)C(=C)C)(C)C)CCS(=O)(=O)[O-]
Synonyms	5205-95-8, N-(3-Sulfopropyl)-N-methacryloylamidopropyl-N,N-dimethylammonium betaine, 3-(dimethyl{3-[(2-methylacryloyl)amino]propyl}ammonio)propane-1-sulfonate, 3-((3-Methacrylamidopropyl)Dimethylammonio)Propane-1-Sulfonate, [3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt, 3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate, 1-Propanaminium, N,N-dimethyl-N-(3-((2-methyl-1-oxo-2-propen-1-yl)amino)propyl)-3-sulfo-, inner salt, EINECS 226-003-9, OIETYYKGJGVJFT-UHFFFAOYSA-N, 1-Propanaminium, N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, inner salt, SCHEMBL35104, AC1L2W61, AC1Q22O3, CTK8D5829, MFCD00080642, AKOS015894700, OR52602, Dimethyl(3-((2-methyl-1-oxoallyl)amino)propyl)-3-sulphopropylammonium hydroxide, AS-49361, FT-0727984, C-55092, I05-3108, 3-Sulfopropyldimethyl-3-methacrylamidopropylammonium,inner salt, dipropyldimethylammonium hydroxide, C12H24N2O4S, CID78883, AR-1E7546, C12-H24-N2-O4-S, 3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]p, 53251-28-8, Dimethyl[3-[(2-methyl-1-oxoallyl)amino]propyl]-3-sulphopropylammonium hydroxide, SPP,

Complexity	397
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.146g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	292.394g/mol
Monoisotopic Mass	292.146g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	94.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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