4-phenyloxan-4-amine hydrochloride

• ChemBase ID: 310263
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: C1(c2ccccc2)(N)CCOCC1.Cl
• Canonical SMILES: NC1(CCOCC1)c1ccccc1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10;/h1-5H,6-9,12H2;1H
• InChIKey: UNJDYSVBOIXQNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyloxan-4-amine hydrochloride
• IUPAC Traditional name: 4-phenyloxan-4-amine hydrochloride
• Synonyms: (4-phenyltetrahydro-2H-pyran-4-yl)amine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0313919
• LogD (pH = 7.4): -1.4151843
• Log P: 0.98396903
• Molar Refractivity: 52.8965 cm^3
• Polarizability: 21.037128 Å^3
• Polar Surface Area: 35.25 Å^2