ethyl N-(2-hydroxyethyl)carbamate

• ChemBase ID: 239581
• Molecular Formular: C5H11NO3
• Molecular Mass: 133.14574
• Monoisotopic Mass: 133.07389322
• SMILES: C(=O)(NCCO)OCC
• Canonical SMILES: OCCNC(=O)OCC
• InChI: InChI=1S/C5H11NO3/c1-2-9-5(8)6-3-4-7/h7H,2-4H2,1H3,(H,6,8)
• InChIKey: IDWDPUULTDNNBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(2-hydroxyethyl)carbamate
• IUPAC Traditional name: ethyl N-(2-hydroxyethyl)carbamate
• Synonyms: ethyl N-(2-hydroxyethyl)carbamate

Database IDs

• MDL Number: MFCD00085972
• PubChem SID: 164295491
• PubChem CID: 223805

CALCULATED PROPERTIES

• Acid pKa: 14.594421
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.52061516
• LogD (pH = 7.4): -0.5206152
• Log P: -0.52061516
• Molar Refractivity: 32.0271 cm^3
• Polarizability: 12.556731 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.195

Product Information

• Purity: 95%