2-amino-N-(2-hydroxyethyl)acetamide

• ChemBase ID: 277453
• Molecular Formular: C4H10N2O2
• Molecular Mass: 118.1344
• Monoisotopic Mass: 118.07422757
• SMILES: C(=O)(NCCO)CN
• Canonical SMILES: OCCNC(=O)CN
• InChI: InChI=1S/C4H10N2O2/c5-3-4(8)6-1-2-7/h7H,1-3,5H2,(H,6,8)
• InChIKey: XGBMKOJOGRVLNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11650491
• PubChem SID: 164333363
• PubChem CID: 14036758

CALCULATED PROPERTIES

• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.2630625
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.9138627
• LogD (pH = 7.4): -3.2306967
• Log P: -2.420844
• Molar Refractivity: 29.0146 cm^3
• Polarizability: 11.510753 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.932

Product Information

• Purity: 95%