methyl N-(2-hydroxyethyl)carbamate

• ChemBase ID: 277070
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: C(=O)(NCCO)OC
• Canonical SMILES: COC(=O)NCCO
• InChI: InChI=1S/C4H9NO3/c1-8-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
• InChIKey: ZLADYZHDLCSTJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12181153
• PubChem SID: 164332980
• PubChem CID: 12701621

CALCULATED PROPERTIES

• Acid pKa: 14.482576
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.87742317
• LogD (pH = 7.4): -0.87742317
• Log P: -0.87742317
• Molar Refractivity: 27.2785 cm^3
• Polarizability: 10.745284 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.724

Product Information

• Purity: 95%