N-[3-(2-aminoethoxy)phenyl]acetamide hydrochloride

• ChemBase ID: 270482
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=O)(Nc1cc(OCCN)ccc1)C.Cl
• Canonical SMILES: NCCOc1cccc(c1)NC(=O)C.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c1-8(13)12-9-3-2-4-10(7-9)14-6-5-11;/h2-4,7H,5-6,11H2,1H3,(H,12,13);1H
• InChIKey: DGZQFSZHXZZGMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-aminoethoxy)phenyl]acetamide hydrochloride
• IUPAC Traditional name: N-[3-(2-aminoethoxy)phenyl]acetamide hydrochloride
• Synonyms: N-[3-(2-aminoethoxy)phenyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD17480400
• PubChem SID: 164326392
• PubChem CID: 50988057

CALCULATED PROPERTIES

• Acid pKa: 13.942797
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7052968
• LogD (pH = 7.4): -1.5996579
• Log P: 0.2563011
• Molar Refractivity: 55.334 cm^3
• Polarizability: 21.092745 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 0.437

Product Information

• Purity: 95%