methyl 2-amino-2-(4-phenylphenyl)acetate hydrochloride

• ChemBase ID: 812193
• Molecular Formular: C15H16ClNO2
• Molecular Mass: 277.74604
• Monoisotopic Mass: 277.08695644
• SMILES: Cl.C(C(=O)OC)(c1ccc(cc1)c1ccccc1)N
• Canonical SMILES: COC(=O)C(c1ccc(cc1)c1ccccc1)N.Cl
• InChI: InChI=1S/C15H15NO2.ClH/c1-18-15(17)14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10,14H,16H2,1H3;1H
• InChIKey: BCBLYFLMCWOAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-(4-phenylphenyl)acetate hydrochloride
• IUPAC Traditional name: methyl 2-amino-2-(4-phenylphenyl)acetate hydrochloride
• Synonyms: AMINO-BIPHENYL-4-YL-ACETIC ACID METHYL ESTER HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3850302
• LogD (pH = 7.4): 2.507212
• Log P: 2.5820732
• Molar Refractivity: 70.2666 cm^3
• Polarizability: 29.14221 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%