1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethane

• ChemBase ID: 92108
• Molecular Formular: C8H18N4O3
• Molecular Mass: 218.25352
• Monoisotopic Mass: 218.13789046
• SMILES: NCCOCCOCCOCCN=[N+]=[N-]
• Canonical SMILES: NCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C8H18N4O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-9H2
• InChIKey: FPVCVHVTMPCZTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethane
• IUPAC Traditional name: 1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethane
• Synonyms: 2-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}ethylamine; 1-Amino-11-azido-3,6,9-trioxaundecane; 11-Azido-3,6,9-trioxaundecylamine; O-(2-Aminoethyl)-O′-(2-azidoethyl)diethylene glycol; 11-Azido-3,6,9-trioxaundecan-1-amine; 2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethanamine; 11-Azido-3,6,9-trioxaundecan-1-amine; 1-Amino-11-azido-3,6,9-trioxaundecane; 1-氨基-11-叠氮-3,6,9-三氧杂十一烷; 2-{2-[2-(2-叠氮乙氧基)乙氧基]乙氧基}乙胺; O-(2-氨乙基)-O′-(2-叠氮乙基)二乙二醇; 11-叠氮-3,6,9-三氧杂十一烷-1-胺

Database IDs

• CAS Number: 134179-38-7
• MDL Number: MFCD00269874
• Beilstein Number: 4745506
• PubChem SID: 24850371; 162078806
• PubChem CID: 2735280

CALCULATED PROPERTIES

• Acid pKa: 4.6874695
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.7332926
• LogD (pH = 7.4): -2.7576044
• Log P: -0.63614297
• Molar Refractivity: 55.6341 cm^3
• Polarizability: 21.419281 Å^3
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol,Water,
• Apperance: Very Pale Yellow Oil
• Boiling Point: 198-202°C; 198-202°C
• Density: 1.10 g/mL at 20 °C(lit.); 1.100
• Refractive Index: 1.4700; n20/D 1.470

Safety Information

• Storage Condition: Amber Vial, Refrigerator, Under Inert Atmosphere
• Storage Warning: Corrosive/Light Sensitive/Moisture Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 2735 8/PG 3

Product Information

• Purity: ≥90% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C8H18N4O3

DETAILS

Apollo Scientific Ltd - OR8503T

Heterobifunctional PRG derivative. Contains a free aminethat can be conjugated to biological molecules directly by an amide linkage (or via the corresponding isothiocyanate).

Sigma Aldrich - 17758

Other Notes
Bifunctional, hydrophilic linker1,2
Packaging
1, 5 mL in glass bottle

Toronto Research Chemicals - A585000

A PEG derivative, which contains a free amine that can be conjugated to biological molecules directly by an amide linkage (or via the corresponding isothiocyanate) and an azide that can be reduced to an amine for conjugation to other molecules. PEG deri

REFERENCES

• Aslan, K., et al.: J. Fluoresc., 14, 391 (2004)
• Gole, A., et al.: Langmuir, 20, 7117 (2004)
• Cavalcante, A., et al.: Biochem. Eng. J., 29, 258 (2004)