1-Propanaminium,N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, innersalt supplier

Name
3-SULFOPROPYLDIMETHYL-3-METHACRYLAMIDOPROPYLAMMONIUM INNER SALT
EINECS 226-003-9
CAS No. 5205-95-8
Article Data5
CAS DataBase
Density
Solubility
Melting Point 190 °C (dec.)(lit.)
Formula C₁₂H₂₄N₂O₄S
Boiling Point
Molecular Weight 292.4
Flash Point
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 20/21/22-34
Molecular Structure
Hazard Symbols C
Synonyms (3-Methacrylamidopropyl)dimethyl(3-sulfopropyl)ammoniumhydroxide, inner salt (7CI);1-Propanaminium,N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propenyl)amino]propyl]-3-sulfo-,hydroxide, inner salt;1-Propanaminium,N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propenyl)amino]propyl]-3-sulfo-, innersalt (9CI);Ammonium, (3-methacrylamidopropyl)dimethyl(3-sulfopropyl)-,hydroxide, inner salt (8CI);3-[N,N-Dimethyl-N-(methacrylamidopropyl)ammonium]propanesulfonate;N,N-Dimethyl-N-methacrylamidopropyl-N-(3-sulfopropyl)ammonium betaine;
PSA 94.68000
LogP 1.55220

1-Propanaminium,N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, innersalt Specification

The 1-Propanaminium, N, N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, innersalt, with the CAS registry number 5205-95-8, is also known as 3-Sulfopropyldimethyl-3-methacrylamidopropylammonium inner salt. It belongs to the product categories of Acrylic Monomers; Methacrylate; Monomers. Its EINECS registry number is 226-003-9. This chemical's molecular formula is C₁₂H₂₄N₂O₄S and molecular weight is 292.39. What's more, its IUPAC name is 3-[Dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from contact with oxidant.

Physical properties about 1-Propanaminium, N, N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, innersalt are: (1)ACD/LogP: -6.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.7; (4)ACD/LogD (pH 7.4): -5.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 83.06 Å².

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]S(=O)(=O)CCC[N+](C)(CCCNC(=O)\C(=C)C)C
(2) InChI: InChI=1/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)
(3) InChIKey: OIETYYKGJGVJFT-UHFFFAOYAD

Product Name

3-SULFOPROPYLDIMETHYL-3-METHACRYLAMIDOPROPYLAMMONIUM INNER SALT

1-Propanaminium,N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, innersalt Specification

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