2-amino-N-(2-methoxyethyl)acetamide

• ChemBase ID: 122060
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=O)(NCCOC)CN
• Canonical SMILES: COCCNC(=O)CN
• InChI: InChI=1S/C5H12N2O2/c1-9-3-2-7-5(8)4-6/h2-4,6H2,1H3,(H,7,8)
• InChIKey: XPQDNNPZEVSCNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methoxyethyl)acetamide
• IUPAC Traditional name: 2-amino-N-(2-methoxyethyl)acetamide
• Synonyms: 2-amino-N-(2-methoxyethyl)acetamide

Database IDs

• CAS Number: 86150-26-7
• MDL Number: MFCD06658936
• PubChem SID: 162216413
• PubChem CID: 7131326

CALCULATED PROPERTIES

• Acid pKa: 15.657386
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2707367
• LogD (pH = 7.4): -2.5875702
• 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

• Hydrophobicity(logP): -1.309

Product Information

• Purity: 95%