(E)-(ethyl N-phenylcarboximidate)

• ChemBase ID: 303733
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: CCO/C=N/c1ccccc1
• Canonical SMILES: CCO/C=N/c1ccccc1
• InChI: InChI=1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
• InChIKey: DRDBNKYFCOLNQO-CSKARUKUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-(ethyl N-phenylcarboximidate)
• IUPAC Traditional name: (E)-(ethyl N-phenylcarboximidate)
• Synonyms: Ethyl N-phenylformimidate; 苯亚胺代甲酸乙酯

Database IDs

• CAS Number: 6780-49-0
• EC Number: 229-841-3
• MDL Number: MFCD00043655

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3593295
• LogD (pH = 7.4): 2.3593493
• Log P: 2.3593495
• Molar Refractivity: 46.6854 cm^3
• Polarizability: 17.254673 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 101-102°C/15mm

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%