3-phenyloxetan-3-amine

• ChemBase ID: 800590
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: O1CC(C1)(N)c1ccccc1
• Canonical SMILES: NC1(COC1)c1ccccc1
• InChI: InChI=1S/C9H11NO/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
• InChIKey: XISUWHJCLGQGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyloxetan-3-amine
• IUPAC Traditional name: 3-phenyloxetan-3-amine
• Synonyms: 3-PHENYLOXETAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7527711
• LogD (pH = 7.4): -0.107057154
• Log P: 0.8640496
• Molar Refractivity: 43.1657 cm^3
• Polarizability: 17.34535 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%