1-(azidomethyl)naphthalene

• ChemBase ID: 242059
• Molecular Formular: C11H9N3
• Molecular Mass: 183.20926
• Monoisotopic Mass: 183.0796473
• SMILES: [N+](=[N-])=NCc1c2c(ccc1)cccc2
• Canonical SMILES: [N-]=[N+]=NCc1cccc2c1cccc2
• InChI: InChI=1S/C11H9N3/c12-14-13-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
• InChIKey: YKTNGIJJDQMLQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(azidomethyl)naphthalene
• IUPAC Traditional name: 1-(azidomethyl)naphthalene
• Synonyms: 1-(azidomethyl)naphthalene

Database IDs

• MDL Number: MFCD11637161
• PubChem SID: 164297969
• PubChem CID: 12263221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9016716
• LogD (pH = 7.4): 2.9016716
• Log P: 3.0157173
• Molar Refractivity: 55.6166 cm^3
• Polarizability: 21.97306 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.438

Product Information

• Purity: 95%