oxolan-2-yl(phenyl)methanamine hydrochloride

• ChemBase ID: 259672
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: C(C1OCCC1)(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)C1CCCO1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8,12H2;1H
• InChIKey: NCVGEMHNPJKBLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-2-yl(phenyl)methanamine hydrochloride
• IUPAC Traditional name: oxolan-2-yl(phenyl)methanamine hydrochloride
• Synonyms: oxolan-2-yl(phenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD11858120
• PubChem SID: 164315582
• PubChem CID: 45791440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3493594
• LogD (pH = 7.4): -0.10139978
• Log P: 1.5773704
• Molar Refractivity: 52.4563 cm^3
• Polarizability: 21.03727 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.409

Product Information

• Purity: 95%