2-(2-aminoethoxy)-N-methylacetamide hydrochloride

• ChemBase ID: 247274
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)(NC)COCCN.Cl
• Canonical SMILES: CNC(=O)COCCN.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-7-5(8)4-9-3-2-6;/h2-4,6H2,1H3,(H,7,8);1H
• InChIKey: HSPBSXXXIIJPNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-N-methylacetamide hydrochloride
• IUPAC Traditional name: 2-(2-aminoethoxy)-N-methylacetamide hydrochloride
• Synonyms: 2-(2-aminoethoxy)-N-methylacetamide hydrochloride

Database IDs

• PubChem SID: 164303184
• PubChem CID: 71758182

CALCULATED PROPERTIES

• Acid pKa: 15.650536
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.71608
• LogD (pH = 7.4): -3.5091715
• Log P: -1.7777176
• Molar Refractivity: 33.7658 cm^3
• Polarizability: 13.404116 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -1.524

Product Information

• Purity: 95%