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
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