1-azido-2-(2-azidoethoxy)ethane

• ChemBase ID: 166882
• Molecular Formular: C4H8N6O
• Molecular Mass: 156.14592
• Monoisotopic Mass: 156.07595891
• SMILES: C(COCCN=[N+]=[N-])N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C4H8N6O/c5-9-7-1-3-11-4-2-8-10-6/h1-4H2
• InChIKey: NQEPBRYUGPSVPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azido-2-(2-azidoethoxy)ethane
• IUPAC Traditional name: 1-azido-2-(2-azidoethoxy)ethane
• Synonyms: 1,1'-Oxybis(2-azidoethane); Bis(2-azidoethyl)ether; 1,5-Diazido-3-oxapentane

Database IDs

• CAS Number: 24345-74-2
• PubChem SID: 162261015
• PubChem CID: 10796994

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.15694298
• LogD (pH = 7.4): 0.15694298
• Log P: 0.38503426
• Molar Refractivity: 38.1821 cm^3
• Polarizability: 13.497071 Å^3
• Polar Surface Area: 68.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; DMSO
• Apperance: Clear Colorless Oil

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - D417280

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)