ethyl N,N-diphenylcarbamate

• ChemBase ID: 75287
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: N(c1ccccc1)(c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15NO2/c1-2-18-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
• InChIKey: HKTSLDUAGCAISP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N,N-diphenylcarbamate
• IUPAC Traditional name: N,N-diphenyl ethylcarbamate
• Synonyms: Ethyl diphenylcarbamate; N,N-Diphenylurethane; N,N-二苯基氨基甲酸乙酯

Database IDs

• CAS Number: 603-52-1
• EC Number: 210-047-0
• MDL Number: MFCD00026818
• PubChem SID: 162040205; 24863183
• PubChem CID: 69050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7090797
• LogD (pH = 7.4): 3.7090797
• Log P: 3.7090797
• Molar Refractivity: 70.1867 cm^3
• Polarizability: 27.319254 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-72 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 99%
• Linear Formula: (C6H5)2NCO2C2H5

DETAILS

Sigma Aldrich - 372919

Packaging
25 g in poly bottle