methyl 2-amino-2-phenylpropanoate hydrochloride

• ChemBase ID: 268947
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: C(C(=O)OC)(c1ccccc1)(N)C.Cl
• Canonical SMILES: COC(=O)C(c1ccccc1)(N)C.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-10(11,9(12)13-2)8-6-4-3-5-7-8;/h3-7H,11H2,1-2H3;1H
• InChIKey: VBBAHSFGHQGGNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-phenylpropanoate hydrochloride
• IUPAC Traditional name: methyl 2-amino-2-phenylpropanoate hydrochloride
• Synonyms: methyl 2-amino-2-phenylpropanoate hydrochloride

Database IDs

• MDL Number: MFCD16817459
• PubChem SID: 164324857
• PubChem CID: 19885602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.08364823
• LogD (pH = 7.4): 1.236622
• Log P: 1.3676138
• Molar Refractivity: 49.8437 cm^3
• Polarizability: 19.978317 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.086

Product Information

• Purity: 95%