ethyl N-(2-hydroxyethyl)-N-methylcarbamate

• ChemBase ID: 273295
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(=O)(N(CCO)C)OCC
• Canonical SMILES: OCCN(C(=O)OCC)C
• InChI: InChI=1S/C6H13NO3/c1-3-10-6(9)7(2)4-5-8/h8H,3-5H2,1-2H3
• InChIKey: QVJUOHQGPAMHNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12771575
• PubChem SID: 164329205
• PubChem CID: 19370355

CALCULATED PROPERTIES

• Acid pKa: 15.570526
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2969391
• LogD (pH = 7.4): -0.29693913
• Log P: -0.2969391
• Molar Refractivity: 36.9238 cm^3
• Polarizability: 14.375297 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.442

Product Information

• Purity: 95%