3-phenyloxolan-3-amine

• ChemBase ID: 799419
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: O1CC(CC1)(N)c1ccccc1
• Canonical SMILES: NC1(COCC1)c1ccccc1
• InChI: InChI=1S/C10H13NO/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2
• InChIKey: VTUZZEWIKSPZNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyloxolan-3-amine
• IUPAC Traditional name: 3-phenyloxolan-3-amine
• Synonyms: 3-phenyl-tetrahydrofuran-3-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0352483
• LogD (pH = 7.4): -0.9179434
• Log P: 0.9240093
• Molar Refractivity: 48.0311 cm^3
• Polarizability: 19.191105 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%