[1-(4-tert-butylphenyl)cyclobutyl]methanamine hydrochloride

• ChemBase ID: 266677
• Molecular Formular: C15H24ClN
• Molecular Mass: 253.81076
• Monoisotopic Mass: 253.15972745
• SMILES: C1(c2ccc(C(C)(C)C)cc2)(CN)CCC1.Cl
• Canonical SMILES: NCC1(CCC1)c1ccc(cc1)C(C)(C)C.Cl
• InChI: InChI=1S/C15H23N.ClH/c1-14(2,3)12-5-7-13(8-6-12)15(11-16)9-4-10-15;/h5-8H,4,9-11,16H2,1-3H3;1H
• InChIKey: MLMMGFSNSZJJMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-tert-butylphenyl)cyclobutyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(4-tert-butylphenyl)cyclobutyl]methanamine hydrochloride
• Synonyms: [1-(4-tert-butylphenyl)cyclobutyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD16040024
• PubChem SID: 164322587
• PubChem CID: 47002785

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.66905653
• LogD (pH = 7.4): 1.6114872
• Log P: 3.6565483
• Molar Refractivity: 69.6208 cm^3
• Polarizability: 27.613852 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 - 266°C
• Hydrophobicity(logP): 4.252

Product Information

• Purity: 95%