N-methyl-2-[2-(methylamino)ethoxy]acetamide hydrochloride

• ChemBase ID: 278928
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(=O)(NC)COCCNC.Cl
• Canonical SMILES: CNCCOCC(=O)NC.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c1-7-3-4-10-5-6(9)8-2;/h7H,3-5H2,1-2H3,(H,8,9);1H
• InChIKey: FZWHVLYVFCCMBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[2-(methylamino)ethoxy]acetamide hydrochloride
• IUPAC Traditional name: N-methyl-2-[2-(methylamino)ethoxy]acetamide hydrochloride
• Synonyms: N-methyl-2-[2-(methylamino)ethoxy]acetamide hydrochloride

Database IDs

• MDL Number: MFCD20233555
• PubChem SID: 164334838
• PubChem CID: 54595044

CALCULATED PROPERTIES

• Acid pKa: 15.738842
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.498019
• LogD (pH = 7.4): -3.3103747
• Log P: -1.3451372
• Molar Refractivity: 38.5404 cm^3
• Polarizability: 15.233851 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): -1.219

Product Information

• Purity: 95%