2-hydroxyacetamide

• ChemBase ID: 13809
• Molecular Formular: C2H5NO2
• Molecular Mass: 75.0666
• Monoisotopic Mass: 75.03202841
• SMILES: C(=O)(CO)N
• Canonical SMILES: NC(=O)CO
• InChI: InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)
• InChIKey: TZGPACAKMCUCKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxyacetamide
• IUPAC Traditional name: glycolamide
• Synonyms: 2-Hydroxyacetamide; Glycolamide; Glycolamide; 2-Hydroxyacetamide; 2-羟基乙酰胺; 羟基乙酰胺

Database IDs

• CAS Number: 598-42-5
• MDL Number: MFCD00047895
• PubChem SID: 160977116; 24871727
• PubChem CID: 69021

CALCULATED PROPERTIES

• Acid pKa: 13.646992
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8475363
• LogD (pH = 7.4): -1.8475366
• Log P: -1.8475363
• Molar Refractivity: 16.1681 cm^3
• Polarizability: 6.3648486 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116 - 118°C; 118-120 °C(lit.); 118-120°C°C
• Hydrophobicity(logP): -1.576

Safety Information

• Storage Warning: IRRITANT; Irritant
• German water hazard class: 3
• TSCA Listed: false
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 98%
• Linear Formula: HOCH2CONH2

DETAILS

Sigma Aldrich - 480959

Packaging
5 g in glass bottle