2-(2-aminoethoxy)acetamide hydrochloride

• ChemBase ID: 238564
• Molecular Formular: C4H11ClN2O2
• Molecular Mass: 154.59534
• Monoisotopic Mass: 154.05090528
• SMILES: C(=O)(N)COCCN.Cl
• Canonical SMILES: NCCOCC(=O)N.Cl
• InChI: InChI=1S/C4H10N2O2.ClH/c5-1-2-8-3-4(6)7;/h1-3,5H2,(H2,6,7);1H
• InChIKey: JDEYEHFYEZOKIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375411
• PubChem SID: 164294474
• PubChem CID: 71756192

CALCULATED PROPERTIES

• Acid pKa: 15.984236
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.939756
• LogD (pH = 7.4): -3.732847
• Log P: -2.0013938
• Molar Refractivity: 28.8691 cm^3
• Polarizability: 11.578708 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): -1.79

Product Information

• Purity: 95%