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13106-44-0

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Basic Information
CAS No.: 13106-44-0
Name: 2-TRIMETHYLAMMONIUM ETHYL ACRYLATE METHOSULFATE
Molecular Structure:
Molecular Structure of 13106-44-0 (2-TRIMETHYLAMMONIUM ETHYL ACRYLATE METHOSULFATE)
Formula: C9H19NO6S
Molecular Weight: 269.32
Synonyms: (2-(Acryloyloxy)ethyl)trimethylammonium methyl sulphate;Ageflex FA 1Q80DMS;Trimethylammonioethyl acrylate, methylsulfate salt;Ethanaminium, N,N,N-trimethyl-2-((1-oxo-2-propenyl)oxy)-, methyl sulfate;Ethanaminium,N,N,N-trimethyl-2-[(1-oxo-2- propenyl)oxy]-,methyl sulfate;Choline, methyl sulfate, acrylate;
EINECS: 236-029-2
Density: 1,18 g/cm3
Boiling Point: 100°C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 101.11000
LogP: 0.59560
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  • N,N,N-Trimethyl-2-(1-oxo-2-propenyloxy)ethanaminium methyl sulfate

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    N,N,N-Trimethyl-2-(1-oxo-2-propenyloxy)ethanaminium methyl sulfate

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Specification

The N,N,N-Trimethyl-2-(1-oxo-2-propenyloxy)ethanaminium methyl sulfate, with the CAS registry number 13106-44-0, is also known as Trimethylammonioethyl acrylate, methylsulfate salt. Its EINECS number is 236-029-2. This chemical's molecular formula is C9H19NO6S and molecular weight is 269.32. What's more, its systematic name is 2-(Acryloyloxy)-N,N,N-trimethylethanaminium methyl sulfate.

Physical properties of N,N,N-Trimethyl-2-(1-oxo-2-propenyloxy)ethanaminium methyl sulfate are: (1)ACD/LogP: -3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.63; (4)ACD/LogD (pH 7.4): -3.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2.

When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC[N+](C)(C)C)\C=C.[O-]S(=O)(=O)OC
(2)Std. InChI: InChI=1S/C8H16NO2.CH4O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5-6(2,3)4/h5H,1,6-7H2,2-4H3;1H3,(H,2,3,4)/q+1;/p-1
(3)Std. InChIKey: UZLGVMYVDYNSCS-UHFFFAOYSA-M