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

• ChemBase ID: 112423
• Molecular Formular: C6H16N2O2
• Molecular Mass: 148.20344
• Monoisotopic Mass: 148.12117776
• SMILES: OCCNCCNCCO
• Canonical SMILES: OCCNCCNCCO
• InChI: InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
• InChIKey: GFIWSSUBVYLTRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[(2-hydroxyethyl)amino]ethyl}amino)ethan-1-ol
• IUPAC Traditional name: 2-({2-[(2-hydroxyethyl)amino]ethyl}amino)ethanol
• Synonyms: N,N'-bis(2-HYDROXYETHYL)ETHYLENE DIAMINE; 2,2′-(Ethylenediimino)diethanol; N,N′-Bis(2-hydroxyethyl)ethylenediamine; 2,2′-(羟乙基)乙二胺; N,N′-双(2-羟乙基)乙二胺

Database IDs

• CAS Number: 4439-20-7
• EC Number: 224-656-4
• MDL Number: MFCD00002842
• Beilstein Number: 1739630
• PubChem SID: 24848908; 162097376; 24856298
• PubChem CID: 78179

CALCULATED PROPERTIES

• Acid pKa: 15.301099
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -6.0358386
• LogD (pH = 7.4): -3.8775103
• Log P: -1.9374859
• Molar Refractivity: 40.0024 cm^3
• Polarizability: 16.083559 Å^3
• Polar Surface Area: 64.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-95 °C; 93-96°C; 98-100 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34-37; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 3

Product Information

• Purity: ≥90% (NT); 97%
• Grade: technical
• Linear Formula: HOCH2CH2NHCH2CH2NHCH2CH2OH

DETAILS

MP Biomedicals - 05223827

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 268879

Packaging
10, 50 g in glass bottle