3-methyl-3-phenylcyclobutan-1-amine hydrochloride

• ChemBase ID: 271073
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC(C1)N)(c1ccccc1)C.Cl
• Canonical SMILES: NC1CC(C1)(C)c1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-11(7-10(12)8-11)9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H
• InChIKey: UKIMNUHZIXYJAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3-phenylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 3-methyl-3-phenylcyclobutan-1-amine hydrochloride
• Synonyms: 3-methyl-3-phenylcyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD17977063
• PubChem SID: 164326983
• PubChem CID: 50988121

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0144496
• LogD (pH = 7.4): -0.49209934
• Log P: 2.0055444
• Molar Refractivity: 50.8497 cm^3
• Polarizability: 20.311207 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 2.176

Product Information

• Purity: 95%