1-(azidomethyl)-4-methoxybenzene

• ChemBase ID: 268896
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: [N+](=[N-])=NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN=[N+]=[N-]
• InChI: InChI=1S/C8H9N3O/c1-12-8-4-2-7(3-5-8)6-10-11-9/h2-5H,6H2,1H3
• InChIKey: IAKGGJYLHBHSQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(azidomethyl)-4-methoxybenzene
• IUPAC Traditional name: 1-(azidomethyl)-4-methoxybenzene
• Synonyms: 1-(azidomethyl)-4-methoxybenzene

Database IDs

• MDL Number: MFCD11637170
• PubChem SID: 164324806
• PubChem CID: 10931767

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7545235
• LogD (pH = 7.4): 1.7545235
• Log P: 1.8685693
• Molar Refractivity: 45.6296 cm^3
• Polarizability: 16.946222 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.183

Product Information

• Purity: 95%