1-(2-aminoethoxy)-2-(2-azidoethoxy)ethane

• ChemBase ID: 814158
• Molecular Formular: C6H14N4O2
• Molecular Mass: 174.20096
• Monoisotopic Mass: 174.11167571
• SMILES: C(COCCOCCN=[N+]=[N-])N
• Canonical SMILES: NCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C6H14N4O2/c7-1-3-11-5-6-12-4-2-9-10-8/h1-7H2
• InChIKey: ZHWGWSYNZIZTFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-(2-azidoethoxy)ethane
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-(2-azidoethoxy)ethane
• Synonyms: 2-(2-(2-azidoethoxy)ethoxy)ethanamine

Database IDs

• CAS Number: 166388-57-4

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.6863172
• LogD (pH = 7.4): -2.710629
• Log P: -0.5891675
• Molar Refractivity: 44.5906 cm^3
• Polarizability: 17.026382 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%