14-azido-3,6,9,12-tetraoxatetradecan-1-amine

• ChemBase ID: 160086
• Molecular Formular: C10H22N4O4
• Molecular Mass: 262.30608
• Monoisotopic Mass: 262.1641052
• SMILES: NCCOCCOCCOCCOCCN=[N+]=[N-]
• Canonical SMILES: NCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C10H22N4O4/c11-1-3-15-5-7-17-9-10-18-8-6-16-4-2-13-14-12/h1-11H2
• InChIKey: ZMBGKXBIVYXREN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-azido-3,6,9,12-tetraoxatetradecan-1-amine
• IUPAC Traditional name: 14-azido-3,6,9,12-tetraoxatetradecan-1-amine
• Synonyms: 14-Azido-3,6,9,12-tetraoxatetradecan-1-amine; O-(2-Aminoethyl)-O'-(2-azidoethyl)triethylene Glycol

Database IDs

• CAS Number: 951671-92-4
• PubChem SID: 162254221
• PubChem CID: 71313220

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -3.7802682
• LogD (pH = 7.4): -2.80458
• Log P: -0.68311846
• Molar Refractivity: 66.6776 cm^3
• Polarizability: 25.81221 Å^3
• Polar Surface Area: 92.37 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - A608880

A heterobifunctional polyethyleneglycol (PEG) derivative; a useful reagent used in the construction of intramolecular linkers.

REFERENCES

• Kuzmin, A. et al.: Bioconj. Chem., 21, 2076 (2010)