methyl 2-amino-2-(naphthalen-2-yl)acetate hydrochloride

• ChemBase ID: 812194
• Molecular Formular: C13H14ClNO2
• Molecular Mass: 251.70876
• Monoisotopic Mass: 251.07130637
• SMILES: Cl.O(C(=O)C(c1ccc2c(cccc2)c1)N)C
• Canonical SMILES: COC(=O)C(c1ccc2c(c1)cccc2)N.Cl
• InChI: InChI=1S/C13H13NO2.ClH/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11;/h2-8,12H,14H2,1H3;1H
• InChIKey: GIDMDKRCSDIXST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-(naphthalen-2-yl)acetate hydrochloride
• IUPAC Traditional name: methyl 2-amino-2-(naphthalen-2-yl)acetate hydrochloride
• Synonyms: METHYL AMINO(2-NAPHTHYL)ACETATE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7570316
• LogD (pH = 7.4): 1.8544149
• Log P: 1.9243246
• Molar Refractivity: 61.5806 cm^3
• Polarizability: 25.681198 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%