3-(naphthalen-1-yloxy)azetidine

• ChemBase ID: 46069
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1(OC2CNC2)c2c(ccc1)cccc2
• Canonical SMILES: N1CC(C1)Oc1cccc2c1cccc2
• InChI: InChI=1S/C13H13NO/c1-2-6-12-10(4-1)5-3-7-13(12)15-11-8-14-9-11/h1-7,11,14H,8-9H2
• InChIKey: FDAXLMTUXIJIFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(naphthalen-1-yloxy)azetidine
• IUPAC Traditional name: 3-(naphthalen-1-yloxy)azetidine
• Synonyms: 3-(1-Naphthyloxy)azetidine

Database IDs

• CAS Number: 782433-54-9
• MDL Number: MFCD13559972
• PubChem SID: 162050832
• PubChem CID: 22451507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5123936
• LogD (pH = 7.4): 1.1428154
• Log P: 2.32889
• Molar Refractivity: 59.397 cm^3
• Polarizability: 24.923733 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false