2-(2-aminoethoxy)ethan-1-ol

• ChemBase ID: 109118
• Molecular Formular: C4H11NO2
• Molecular Mass: 105.13564
• Monoisotopic Mass: 105.0789786
• SMILES: NCCOCCO
• Canonical SMILES: NCCOCCO
• InChI: InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
• InChIKey: GIAFURWZWWWBQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-aminoethoxy)ethanol
• Synonyms: DIGLYCOLAMINE; 2-(2-aminoethoxy)ethanol; Diethylene glycolamine; 2-(2-Aminoethoxy)ethanol; 二甘醇胺; 2-(2-氨基乙氧基)乙醇

Database IDs

• CAS Number: 929-06-6
• EC Number: 213-195-4
• MDL Number: MFCD00008181
• Beilstein Number: 906728
• PubChem SID: 162096136; 24890972
• PubChem CID: 13578

CALCULATED PROPERTIES

• Acid pKa: 15.121229
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.34564
• LogD (pH = 7.4): -3.3699522
• Log P: -1.3625364
• Molar Refractivity: 27.2546 cm^3
• Polarizability: 10.957657 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -11°C
• Boiling Point: 125-131°C/23mm; 218°C; 218-224 °C(lit.)
• Flash Point: >113 °C; >235.4 °F; 127°C(260°F)
• Density: 1.048 g/ml; 1.048 g/mL at 25 °C(lit.); 1.057
• Refractive Index: 1.4570

Safety Information

• Storage Warning: Air Sensitive
• RTECS: KJ6125000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 3055; UN3055
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 21-34; R:10-27-34
• Safety Statements: 26-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H314; H314-H318-H312
• GHS Precautionary statements: 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 3055 8/PG 3

Product Information

• Purity: 98%
• Linear Formula: NH2CH2CH2OCH2CH2OH

DETAILS

MP Biomedicals - 05209913

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A54059

Packaging
5, 100 g in glass bottle