2-({2-[bis(2-hydroxyethyl)amino]ethyl}(2-hydroxyethyl)amino)ethan-1-ol

• ChemBase ID: 106986
• Molecular Formular: C10H24N2O4
• Molecular Mass: 236.30856
• Monoisotopic Mass: 236.17360726
• SMILES: OCCN(CCO)CCN(CCO)CCO
• Canonical SMILES: OCCN(CCO)CCN(CCO)CCO
• InChI: InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2
• InChIKey: BYACHAOCSIPLCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[bis(2-hydroxyethyl)amino]ethyl}(2-hydroxyethyl)amino)ethan-1-ol
• IUPAC Traditional name: 2-({2-[bis(2-hydroxyethyl)amino]ethyl}(2-hydroxyethyl)amino)ethanol
• Synonyms: ETHYLENEDIAMINETETRAETHANOL; THEED; 2,2′,2″,2″′-(Ethylenedinitrilo)tetraethanol; N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine; 乙二胺四乙醇; N,N,N′,N′-四(2-羟乙基)乙二胺

Database IDs

• CAS Number: 140-07-8
• EC Number: 205-396-0
• MDL Number: MFCD00002854
• Beilstein Number: 1767829
• PubChem SID: 24888921; 162092931
• PubChem CID: 67322

CALCULATED PROPERTIES

• H Donor: 4
• LogD (pH = 5.5): -5.8185935
• LogD (pH = 7.4): -4.0891433
• Log P: -2.551594
• Molar Refractivity: 63.1764 cm^3
• Polarizability: 24.722944 Å^3
• Polar Surface Area: 87.4 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true
• Acid pKa: 14.990942
• H Acceptors: 6

PROPERTIES

Physical Property

• Boiling Point: ~280 °C; 150°C
• Flash Point: 210.2 °F; 99 °C
• Density: 1.1 g/mL at 20 °C(lit.); 1.10 g/ml
• Refractive Index: n20/D 1.501

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Grade: technical
• Linear Formula: (HOCH2CH2)2NCH2CH2N(CH2CH2OH)2

DETAILS

MP Biomedicals - 05202149

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 87600

Packaging
100 mL in glass bottle