N-(2-aminoethyl)-2-phenoxyacetamide hydrochloride

• ChemBase ID: 256692
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=O)(NCCN)COc1ccccc1.Cl
• Canonical SMILES: NCCNC(=O)COc1ccccc1.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c11-6-7-12-10(13)8-14-9-4-2-1-3-5-9;/h1-5H,6-8,11H2,(H,12,13);1H
• InChIKey: CAEALSAPHDTRRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-2-phenoxyacetamide hydrochloride
• IUPAC Traditional name: N-(2-aminoethyl)-2-phenoxyacetamide hydrochloride
• Synonyms: N-(2-aminoethyl)-2-phenoxyacetamide hydrochloride

Database IDs

• MDL Number: MFCD11099441
• PubChem SID: 164312602
• PubChem CID: 42943450

CALCULATED PROPERTIES

• Acid pKa: 15.179994
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.028489
• LogD (pH = 7.4): -1.8347634
• Log P: -0.0866925
• Molar Refractivity: 53.2745 cm^3
• Polarizability: 21.105543 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.569

Product Information

• Purity: 95%