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| CAS No.: | 51410-72-1 |
|---|---|
| Name: | METHACRYLAMIDOPROPYLTRIMETHYLAMMONIUM CHLORIDE |
| Molecular Structure: | |
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| Formula: | C10H21ClN2O |
| Molecular Weight: | 220.743 |
| Synonyms: | N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride;(3-methacrylamidopropyl)trimethylammonium chloride;[3-(Methacryloylamino)propyl]trimethylammonium chloride solution;1-Propanaminium, N,N,N-trimethyl-3-((2-methyl-1-oxo-2-propenyl)amino)-, chloride; |
| EINECS: | 257-182-1 |
| Density: | 1.053 g/mL at 25 °C |
| Melting Point: | -22.5 °C |
| Boiling Point: | 100 °C |
| Solubility: | solution |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 29.10000 |
| LogP: | -1.83010 |
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Specification
The [3-(Methacryloylamino)propyl]trimethylammonium chloride, with the CAS registry number 51410-72-1 and EINECS registry number 257-182-1, has the systematic name of N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride. And the molecular formula of the chemical is C10H21ClN2O.
The characteristics of [3-(Methacryloylamino)propyl]trimethylammonium chloride are as followings: (1)ACD/LogP: -3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.71; (4)ACD/LogD (pH 7.4): -3.71; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.31 Å2.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].O=C(\C(=C)C)NCCC[N+](C)(C)C
(2)InChI: InChI=1/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H
(3)InChIKey: UZNHKBFIBYXPDV-UHFFFAOYAB