methyl 2-[2-(aminomethyl)phenoxy]acetate hydrochloride

• ChemBase ID: 269340
• Molecular Formular: C10H14ClNO3
• Molecular Mass: 231.67606
• Monoisotopic Mass: 231.06622099
• SMILES: C(=O)(COc1c(CN)cccc1)OC.Cl
• Canonical SMILES: COC(=O)COc1ccccc1CN.Cl
• InChI: InChI=1S/C10H13NO3.ClH/c1-13-10(12)7-14-9-5-3-2-4-8(9)6-11;/h2-5H,6-7,11H2,1H3;1H
• InChIKey: UHMSGDQEWKRAIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[2-(aminomethyl)phenoxy]acetate hydrochloride
• IUPAC Traditional name: methyl 2-[2-(aminomethyl)phenoxy]acetate hydrochloride
• Synonyms: methyl 2-[2-(aminomethyl)phenoxy]acetate hydrochloride

Database IDs

• MDL Number: MFCD16817555
• PubChem SID: 164325250
• PubChem CID: 50988575

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3288164
• LogD (pH = 7.4): -0.9881513
• Log P: 0.56522036
• Molar Refractivity: 51.8483 cm^3
• Polarizability: 20.663567 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.631

Product Information

• Purity: 95%