3-(benzyloxy)cyclobutan-1-amine

• ChemBase ID: 65927
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: NC1CC(C1)OCc1ccccc1
• Canonical SMILES: NC1CC(C1)OCc1ccccc1
• InChI: InChI=1S/C11H15NO/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2
• InChIKey: GYSQDBGCDZWPMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)cyclobutan-1-amine
• IUPAC Traditional name: 3-(benzyloxy)cyclobutan-1-amine
• Synonyms: 3-(Benzyloxy)cyclobutanamine

Database IDs

• CAS Number: 92146-77-5
• MDL Number: MFCD16657502
• PubChem SID: 162031666
• PubChem CID: 12104169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9014071
• LogD (pH = 7.4): -1.4117206
• Log P: 1.1199675
• Molar Refractivity: 52.6771 cm^3
• Polarizability: 21.036253 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%