methyl 3-(2-aminophenoxy)propanoate hydrochloride

• ChemBase ID: 283153
• Molecular Formular: C10H14ClNO3
• Molecular Mass: 231.67606
• Monoisotopic Mass: 231.06622099
• SMILES: C(=O)(CCOc1c(N)cccc1)OC.Cl
• Canonical SMILES: COC(=O)CCOc1ccccc1N.Cl
• InChI: InChI=1S/C10H13NO3.ClH/c1-13-10(12)6-7-14-9-5-3-2-4-8(9)11;/h2-5H,6-7,11H2,1H3;1H
• InChIKey: OLYYTQZCWYVVLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(2-aminophenoxy)propanoate hydrochloride
• IUPAC Traditional name: methyl 3-(2-aminophenoxy)propanoate hydrochloride
• Synonyms: methyl 3-(2-aminophenoxy)propanoate hydrochloride

Database IDs

• MDL Number: MFCD20441751
• PubChem SID: 180668684
• PubChem CID: 54595639

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8213544
• LogD (pH = 7.4): 0.8471989
• Log P: 0.8475387
• Molar Refractivity: 52.7747 cm^3
• Polarizability: 20.292444 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.208

Product Information

• Purity: 95%