N-(2-methoxyethyl)-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 49516
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(=O)(NCCOC)CNC.Cl
• Canonical SMILES: CNCC(=O)NCCOC.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c1-7-5-6(9)8-3-4-10-2;/h7H,3-5H2,1-2H3,(H,8,9);1H
• InChIKey: ANCRPGJQEFSHAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(2-methoxyethyl)-2-(methylamino)acetamide hydrochloride
• Synonyms: N-(2-Methoxyethyl)-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08060120
• PubChem SID: 162054279
• PubChem CID: 56832080

CALCULATED PROPERTIES

• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.742384
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.3162947
• LogD (pH = 7.4): -2.7598133
• Log P: -1.3451372
• Molar Refractivity: 38.5404 cm^3
• Polarizability: 15.233851 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false