(2-hydroxyethyl)trimethylazanium oxidanide

• ChemBase ID: 131602
• Molecular Formular: C5H15NO2
• Molecular Mass: 121.1781
• Monoisotopic Mass: 121.11027873
• SMILES: C[N+](C)(C)CCO.[OH-]
• Canonical SMILES: OCC[N+](C)(C)C.[OH-]
• InChI: InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
• InChIKey: KIZQNNOULOCVDM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxyethyl)trimethylazanium oxidanide; (2-hydroxyethyl)trimethylazanium hydroxide
• IUPAC Traditional name: choline oxidanide; choline hydroxide
• Synonyms: Choline base solution; Choline hydroxide; (2-Hydroxyethyl)trimethylammonium hydroxide; Choline solution; Choline hydroxide solution; (2-羟乙基)三甲基氢氧化铵; 胆碱 溶液; 氢氧化胆碱 溶液; 胆碱

Database IDs

• CAS Number: 123-41-1
• EC Number: 204-625-1
• MDL Number: MFCD00002831
• Beilstein Number: 1736748
• PubChem SID: 24861236; 24860096; 24857572; 162225880
• PubChem CID: 31255

CALCULATED PROPERTIES

• Acid pKa: 13.968714
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -4.662269
• LogD (pH = 7.4): -4.6622667
• Log P: -4.662269
• Molar Refractivity: 42.194 cm^3
• Polarizability: 12.021414 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 23 °C; 73.4 °F
• Density: 0.945 g/mL at 25 °C; 1.023 g/mL at 25 °C; 1.073; 1.073 g/mL at 25 °C; 1.09 g/mL at 20 °C
• Refractive Index: 1.4270; n20/D 1.37; n20/D 1.418; n20/D 1.4186; n20/D 1.4304

Safety Information

• RTECS: GA4025500
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 3267; 3286; UN3267
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; II
• Risk Statements: 10-23/24/25-34-39/23/24/25; 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H311-H314-H331-H370; H314; H314-H318
• GHS Precautionary statements: P260-P280-P301 + P310-P305 + P351 + P338-P310; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2; UN 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 46% w/w aq. soln.
• Concentration: ~45% in methanol; ~50 % (w/w) in H2O; ~50% in H2O; 20 wt. % in H2O; 45 wt. % in methanol; 46 wt. % in H2O
• Grade: purum; technical
• Contains: 0.5% paraformaldehyde as stabilizer
• Linear Formula: (CH3)3N(OH)CH2CH2OH; HOCH2CH2N(CH3)3OH

DETAILS

Sigma Aldrich - C9154

Biochem/physiol Actions
酰基受体
Caution
储存时颜色可能变深。
Substrates
胆碱乙酰基转移酶底物

Sigma Aldrich - 292257

Packaging
100, 500 mL in glass bottle

Sigma Aldrich - 344257

Packaging
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 333018

Packaging
1 kg in glass bottle

Sigma Aldrich - 26972

Biochem/physiol Actions
Acyl group acceptor
Substrates
Choline acetyltransferase substrate

Sigma Aldrich - 26970

Biochem/physiol Actions
Acyl group acceptor
Substrates
Choline acetyltransferase substrate