ethyl N-ethylcarbamate

• ChemBase ID: 107882
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: CCNC(=O)OCC
• Canonical SMILES: CCNC(=O)OCC
• InChI: InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)
• InChIKey: GZXSDYYWLZERLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-ethylcarbamate
• IUPAC Traditional name: ethyl ethylcarbamate
• Synonyms: Ethyl N-ethylcarbamate; N-Ethylurethane; N-ETHYLURETHANE; 乙基-N-氨基羧酸酯; N-乙基尿烷

Database IDs

• CAS Number: 623-78-9
• EC Number: 210-812-9
• MDL Number: MFCD00009102
• PubChem SID: 24894601; 162090123
• PubChem CID: 12195

CALCULATED PROPERTIES

• Acid pKa: 15.236189
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.52629477
• LogD (pH = 7.4): 0.52629477
• Log P: 0.52629477
• Molar Refractivity: 30.4834 cm^3
• Polarizability: 11.874916 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85 °C/20 mmHg(lit.)
• Flash Point: 168 °F; 76 °C
• Density: 0.981 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.421(lit.)

Safety Information

• RTECS: FA9100000
• German water hazard class: 3

Product Information

• Purity: 99%
• Linear Formula: C2H5NHCO2C2H5

DETAILS

MP Biomedicals - 05205308

MP Biomedicals Rare Chemical collection