2-(methylamino)-2-phenylacetic acid hydrochloride

• ChemBase ID: 269618
• Molecular Formular: C9H12ClNO2
• Molecular Mass: 201.65008
• Monoisotopic Mass: 201.05565631
• SMILES: C(=O)(C(c1ccccc1)NC)O.Cl
• Canonical SMILES: CNC(c1ccccc1)C(=O)O.Cl
• InChI: InChI=1S/C9H11NO2.ClH/c1-10-8(9(11)12)7-5-3-2-4-6-7;/h2-6,8,10H,1H3,(H,11,12);1H
• InChIKey: FUUXTVBJBBSPAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-2-phenylacetic acid hydrochloride
• IUPAC Traditional name: (methylamino)(phenyl)acetic acid hydrochloride
• Synonyms: 2-(methylamino)-2-phenylacetic acid hydrochloride

Database IDs

• MDL Number: MFCD06795795
• PubChem SID: 164325528
• PubChem CID: 24190972

CALCULATED PROPERTIES

• Acid pKa: 1.8864545
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2495941
• LogD (pH = 7.4): -1.2512678
• Log P: -1.2495826
• Molar Refractivity: 45.1359 cm^3
• Polarizability: 17.883507 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 242 - 244°C
• Hydrophobicity(logP): -1.329

Product Information

• Purity: 95%