trimethyl({2-[(2-methylprop-2-enoyl)oxy]ethyl})azanium chloride

• ChemBase ID: 147826
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-]
• Canonical SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
• InChIKey: RRHXZLALVWBDKH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl({2-[(2-methylprop-2-enoyl)oxy]ethyl})azanium chloride
• IUPAC Traditional name: trimethyl({2-[(2-methylprop-2-enoyl)oxy]ethyl})azanium chloride
• Synonyms: [2-(Methacryloyloxy)ethyl]trimethylammonium chloride solution; 2-(Methacryloxy)ethyltrimethylammonium chloride; 2-(Methacryloyloxy)ethyltrimethylammonium chloride; 甲基丙烯酰氧乙基三甲基氯化铵 溶液; 2-(甲基丙烯酰基氧)乙基三甲基铵氯

Database IDs

• CAS Number: 5039-78-1
• EC Number: 225-733-5
• MDL Number: MFCD00060097
• Beilstein Number: 8168395
• PubChem SID: 162242009; 24865505
• PubChem CID: 78738

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.8359668
• LogD (pH = 7.4): -2.8359668
• Log P: -2.8359668
• Molar Refractivity: 60.3503 cm^3
• Polarizability: 19.29334 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -25°C
• Boiling Point: >100°C
• Density: 1.105; 1.105 g/mL at 25 °C
• Refractive Index: 1.4660; n20/D 1.469

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36/38; 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 72% aq. soln., stab. with 150-200 ppm 4-methoxyphenol
• Concentration: 80 wt. % in H2O
• Contains: 600 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH2N(CH3)3Cl

DETAILS

Sigma Aldrich - 408107

Packaging
1 L in poly bottle
250 mL in poly bottle