2-(chlorotrimethylamino)ethan-1-ol

• ChemBase ID: 105826
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: CN(C)(C)(Cl)CCO
• Canonical SMILES: OCCN(Cl)(C)(C)C
• InChI: InChI=1S/C5H14ClNO/c1-7(2,3,6)4-5-8/h8H,4-5H2,1-3H3
• InChIKey: VYBDUUKMEXWKOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chlorotrimethylamino)ethan-1-ol
• IUPAC Traditional name: 2-(chlorotrimethylamino)ethanol
• Synonyms: Choline Hydrochloride; Hepacholine; (2-Hydroxyethyl)Trimethyl-Ammonium Chloride; CHOLINE CHLORIDE

Database IDs

• CAS Number: 67-48-1
• EC Number: 200-655-4
• PubChem SID: 162089003
• PubChem CID: 522265

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 48.3303 cm^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.1 g/cm^3 at 20 °C
• Vapor Pressure: 10 hPa at 20 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: KH2975000

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02194639

Cell Culture Reagent
Purity: 99%