oxolan-3-yl(phenyl)methanamine hydrochloride

• ChemBase ID: 246282
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: C(C1COCC1)(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)C1COCC1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
• InChIKey: MZMAOXHRLHULKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-3-yl(phenyl)methanamine hydrochloride
• IUPAC Traditional name: oxolan-3-yl(phenyl)methanamine hydrochloride
• Synonyms: oxolan-3-yl(phenyl)methanamine hydrochloride

Database IDs

• PubChem SID: 164302192
• PubChem CID: 71757937

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8292457
• LogD (pH = 7.4): -1.0818142
• Log P: 1.1775563
• Molar Refractivity: 52.7953 cm^3
• Polarizability: 21.037596 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.696

Product Information

• Purity: 95%