20-azido-3,6,9,12,15,18-hexaoxaicosan-1-amine

• ChemBase ID: 152410
• Molecular Formular: C14H30N4O6
• Molecular Mass: 350.4112
• Monoisotopic Mass: 350.2165347
• SMILES: C(COCCOCCOCCOCCOCCOCCN=[N+]=[N-])N
• Canonical SMILES: NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C14H30N4O6/c15-1-3-19-5-7-21-9-11-23-13-14-24-12-10-22-8-6-20-4-2-17-18-16/h1-15H2
• InChIKey: VCQSTKKJKNUQBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 20-azido-3,6,9,12,15,18-hexaoxaicosan-1-amine
• IUPAC Traditional name: 20-azido-3,6,9,12,15,18-hexaoxaicosan-1-amine
• Synonyms: Azido-PEG-amine (n=6); O-(2-Aminoethyl)-O′-(2-azidoethyl)pentaethylene glycol; 20-Azido-3,6,9,12,15,18-hexaoxaeicosan-1-amine; O-(2-Aminoethyl)-O'-(2-azidoethyl)pentaethylene Glycol; 叠氮-PEG-胺（聚合度为 6）; O-(2-氨基乙基)-O′-(2-叠氮乙基)戊乙二醇

Database IDs

• CAS Number: 957486-82-7
• MDL Number: MFCD03453240
• PubChem SID: 162246555; 24886955
• PubChem CID: 4093707

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): -3.8742192
• LogD (pH = 7.4): -2.898531
• Log P: -0.7770695
• Molar Refractivity: 88.7646 cm^3
• Polarizability: 34.598118 Å^3
• Polar Surface Area: 110.83 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (oligomer purity)
• Empirical Formula (Hill Notation): C14H30N4O6

DETAILS

Sigma Aldrich - 76172

Packaging
500 mg in poly bottle

Toronto Research Chemicals - A608855

A heterobifunctional polyethyleneglycol (PEG) derivative used in the preparation low-fouling, biofunctionalized, and biodegradable click capsules; a useful reagent used in the construction of intramolecular linkers.

REFERENCES

• Ochs, C. et al.: Biomacromol., 9, 3389 (2008)
• Breurken, M. et al.: ChemBioChem, 11, 1665 (2008)