1-benzylcyclobutan-1-amine hydrochloride

• ChemBase ID: 238467
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(Cc2ccccc2)(N)CCC1.Cl
• Canonical SMILES: NC1(CCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c12-11(7-4-8-11)9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,12H2;1H
• InChIKey: UYCQOWBTPGTYGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 1-benzylcyclobutan-1-amine hydrochloride
• Synonyms: 1-benzylcyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD19980664
• PubChem SID: 164294377
• PubChem CID: 68755888

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.79975253
• LogD (pH = 7.4): -0.30896848
• Log P: 2.2215774
• Molar Refractivity: 50.9882 cm^3
• Polarizability: 20.312092 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.336

Product Information

• Purity: 95%