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

• ChemBase ID: 166879
• Molecular Formular: C6H12N6O2
• Molecular Mass: 200.19848
• Monoisotopic Mass: 200.10217365
• SMILES: C(COCCOCCN=[N+]=[N-])N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C6H12N6O2/c7-11-9-1-3-13-5-6-14-4-2-10-12-8/h1-6H2
• InChIKey: OHZGAFKSAANFAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane
• IUPAC Traditional name: 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane
• Synonyms: 1,2-Bis(2-azidoethoxy)ethane; 1-Azido-2-[2-(2-azidoethoxy)ethoxy]ethane; 1,8-Diazido-3,6-dioxaoctane; 1-AZIDO-2-[2-(2-AZIDO-ETHOXY)-ETHOXY]-ETHANE

Database IDs

• CAS Number: 59559-06-7
• PubChem SID: 162261012
• PubChem CID: 10845705

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.10996747
• LogD (pH = 7.4): 0.10996747
• Log P: 0.33805877
• Molar Refractivity: 49.2256 cm^3
• Polarizability: 17.880974 Å^3
• Polar Surface Area: 77.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Clear Colorless Liquid

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 98%

DETAILS

Toronto Research Chemicals - D417200

Multifunctional alkylating agent.

REFERENCES

• Christopoulos, A., et al.: J. Pharm. Exp. Ther., 298, 1260 (2001)
• Cornea, A., et al.: J. Biol. Chem., 276, 2153 (2001)
• Javitch, J., et al.: Mol. Pharm., 66, 1077 (2004) Soulier, J., et al.: J. Med. Chem., 48, 6220 (2001)