[3-(benzyloxy)cyclobutyl]methanamine hydrochloride

• ChemBase ID: 247180
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: C1(OCc2ccccc2)CC(C1)CN.Cl
• Canonical SMILES: NCC1CC(C1)OCc1ccccc1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c13-8-11-6-12(7-11)14-9-10-4-2-1-3-5-10;/h1-5,11-12H,6-9,13H2;1H
• InChIKey: VGQKSTLFBJGWKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)cyclobutyl]methanamine hydrochloride
• IUPAC Traditional name: [3-(benzyloxy)cyclobutyl]methanamine hydrochloride
• Synonyms: [3-(benzyloxy)cyclobutyl]methanamine hydrochloride

Database IDs

• PubChem SID: 164303090
• PubChem CID: 71758160

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4436051
• LogD (pH = 7.4): -1.0292518
• Log P: 1.5805682
• Molar Refractivity: 57.4951 cm^3
• Polarizability: 22.882162 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.345

Product Information

• Purity: 95%