2-[bis(2-hydroxyethyl)amino]ethan-1-ol hydrochloride

• ChemBase ID: 102804
• Molecular Formular: C6H16ClNO3
• Molecular Mass: 185.64914
• Monoisotopic Mass: 185.08187106
• SMILES: Cl.OCCN(CCO)CCO
• Canonical SMILES: OCCN(CCO)CCO.Cl
• InChI: InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
• InChIKey: HHLJUSLZGFYWKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[bis(2-hydroxyethyl)amino]ethan-1-ol hydrochloride
• IUPAC Traditional name: TEA hydrochloride; triethanolamine hydrochloride
• Synonyms: 2,2',2''-Nitrilotriethanol hydrochloride; Tris(2-hydroxyethyl)amine hydrochloride; TRIETHANOLAMINE HYDROCHLORIDE; 2,2′,2′′-Nitrilotriethanol hydrochloride; Triethanolamine hydrochloride; 2,2',2''-次氮基三乙醇 盐酸盐; 三(2-羟乙基)胺 盐酸盐; 三乙醇胺 盐酸盐; 三乙醇胺盐酸盐

Database IDs

• CAS Number: 637-39-8
• EC Number: 211-284-2
• MDL Number: MFCD00012596
• Beilstein Number: 3909940
• Merck Index: 149665
• PubChem SID: 162088289; 24900428; 24899972
• PubChem CID: 101814

CALCULATED PROPERTIES

• Acid pKa: 15.115809
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.7145576
• LogD (pH = 7.4): -2.9557004
• Log P: -1.8801366
• Molar Refractivity: 38.865 cm^3
• Polarizability: 15.211721 Å^3
• Polar Surface Area: 63.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M, clear, colorless
• Melting Point: 177-179 °C(lit.); 177-179°C; 177-179°C; 178°C; 178-182 °C
• Absorption Wavelength: λ: 260 nm Amax: 0.05
• pKa: 7.8 (25°C)
• pH: 4.0-5.5 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: KL9346500
• German water hazard class: 1
• Safety Statements: 22
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~99%; ≥99%; ≥99.0% (AT); ≥99.5% (titration); 99+%
• Grade: puriss. p.a.
• Ignition Residue: ≤0.01% (as SO4); ≤0.1%
• Impurities: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; K: ≤0.005%; K: ≤50 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤0.05%
• Useful pH Range: 7.3 - 8.3
• Product Line: BioXtra
• Linear Formula: (HOCH2CH2)3N · HCl

DETAILS

MP Biomedicals - 05219270

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02103109

Crystalline
Purity: Approx. 99%
NOT FOR EXPORT

Sigma Aldrich - T1502

Packaging
1 kg in poly bottle
100, 250, 500 g in poly bottle

Sigma Aldrich - 158917

Packaging
100, 500 g in poly bottle