1-(2-azidopropan-2-yl)-2-methoxybenzene

• ChemBase ID: 270308
• Molecular Formular: C10H13N3O
• Molecular Mass: 191.22972
• Monoisotopic Mass: 191.10586205
• SMILES: [N+](=[N-])=NC(c1c(OC)cccc1)(C)C
• Canonical SMILES: [N-]=[N+]=NC(c1ccccc1OC)(C)C
• InChI: InChI=1S/C10H13N3O/c1-10(2,12-13-11)8-6-4-5-7-9(8)14-3/h4-7H,1-3H3
• InChIKey: XKEFVSIIMSTLBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-azidopropan-2-yl)-2-methoxybenzene
• IUPAC Traditional name: 1-(2-azidopropan-2-yl)-2-methoxybenzene
• Synonyms: 1-(2-azidopropan-2-yl)-2-methoxybenzene

Database IDs

• MDL Number: MFCD17480369
• PubChem SID: 164326218
• PubChem CID: 50989191

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4516752
• LogD (pH = 7.4): 2.4516752
• Log P: 2.5657208
• Molar Refractivity: 54.6866 cm^3
• Polarizability: 20.62164 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.891

Product Information

• Purity: 95%