1,14-diazido-3,6,9,12-tetraoxatetradecane

• ChemBase ID: 166883
• Molecular Formular: C10H20N6O4
• Molecular Mass: 288.3036
• Monoisotopic Mass: 288.15460315
• SMILES: C(COCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C10H20N6O4/c11-15-13-1-3-17-5-7-19-9-10-20-8-6-18-4-2-14-16-12/h1-10H2
• InChIKey: QTEOEACEOUNLRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,14-diazido-3,6,9,12-tetraoxatetradecane
• IUPAC Traditional name: 1,14-diazido-3,6,9,12-tetraoxatetradecane
• Synonyms: 1,14-Diazido-3,6,9,12-tetraoxatetradecane

Database IDs

• CAS Number: 182760-73-2
• PubChem SID: 162261016
• PubChem CID: 26793765

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 0.016016452
• LogD (pH = 7.4): 0.016016452
• Log P: 0.24410775
• Molar Refractivity: 71.3126 cm^3
• Polarizability: 26.65728 Å^3
• Polar Surface Area: 95.78 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Clear Colorless Oil

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - D417300

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)