2-[(diphenylmethyl)amino]acetic acid hydrochloride

• ChemBase ID: 266600
• Molecular Formular: C15H16ClNO2
• Molecular Mass: 277.74604
• Monoisotopic Mass: 277.08695644
• SMILES: N(C(c1ccccc1)c1ccccc1)CC(=O)O.Cl
• Canonical SMILES: OC(=O)CNC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C15H15NO2.ClH/c17-14(18)11-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,15-16H,11H2,(H,17,18);1H
• InChIKey: FHWSJVWIVPKMIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(diphenylmethyl)amino]acetic acid hydrochloride
• IUPAC Traditional name: [(diphenylmethyl)amino]acetic acid hydrochloride
• Synonyms: 2-[(diphenylmethyl)amino]acetic acid hydrochloride

Database IDs

• MDL Number: MFCD16040017
• PubChem SID: 164322510
• PubChem CID: 47002750

CALCULATED PROPERTIES

• Acid pKa: 2.0381262
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3244117
• LogD (pH = 7.4): 0.31806386
• Log P: 0.32431698
• Molar Refractivity: 69.6734 cm^3
• Polarizability: 27.48433 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.208

Product Information

• Purity: 95%