methyl 2-(methylamino)-2-phenylacetate hydrochloride

• ChemBase ID: 276712
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: C(=O)(C(c1ccccc1)NC)OC.Cl
• Canonical SMILES: CNC(c1ccccc1)C(=O)OC.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-11-9(10(12)13-2)8-6-4-3-5-7-8;/h3-7,9,11H,1-2H3;1H
• InChIKey: LUTTWYNUEOBWAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(methylamino)-2-phenylacetate hydrochloride
• IUPAC Traditional name: methyl 2-(methylamino)-2-phenylacetate hydrochloride
• Synonyms: methyl 2-(methylamino)-2-phenylacetate hydrochloride

Database IDs

• MDL Number: MFCD19686247
• PubChem SID: 164332622
• PubChem CID: 53534799

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8274854
• LogD (pH = 7.4): 1.3541275
• Log P: 1.3674283
• Molar Refractivity: 49.905 cm^3
• Polarizability: 19.978731 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 1.301

Product Information

• Purity: 95%