3-methoxy-3-phenylazetidine hydrochloride

• ChemBase ID: 261138
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: C1(c2ccccc2)(CNC1)OC.Cl
• Canonical SMILES: COC1(CNC1)c1ccccc1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-12-10(7-11-8-10)9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H
• InChIKey: FETSBXWNGPPDAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-3-phenylazetidine hydrochloride
• IUPAC Traditional name: 3-methoxy-3-phenylazetidine hydrochloride
• Synonyms: 3-methoxy-3-phenylazetidine hydrochloride

Database IDs

• MDL Number: MFCD16622017
• PubChem SID: 164317048
• PubChem CID: 47002135

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2418301
• LogD (pH = 7.4): 0.49130586
• Log P: 1.29663
• Molar Refractivity: 47.9403 cm^3
• Polarizability: 19.189217 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.882

Product Information

• Purity: 95%