N-methoxy-N-methylbenzamide

• ChemBase ID: 147092
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: CN(C(=O)c1ccccc1)OC
• Canonical SMILES: CON(C(=O)c1ccccc1)C
• InChI: InChI=1S/C9H11NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
• InChIKey: UKERDACREYXSIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylbenzamide
• IUPAC Traditional name: N-methoxy-N-methylbenzamide
• Synonyms: N-Methoxy-N-methylbenzamide; N-Methoxy-N-methylbenzamide; N-甲氧基-N-甲基苯甲酰胺

Database IDs

• CAS Number: 6919-61-5
• MDL Number: MFCD00075320
• PubChem SID: 162241283; 24861315
• PubChem CID: 569575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4223412
• LogD (pH = 7.4): 1.4223412
• Log P: 1.4223412
• Molar Refractivity: 46.28 cm^3
• Polarizability: 17.53565 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70 °C/0.1 mmHg(lit.)
• Flash Point: 113 °C; 235 °F
• Density: 1.085 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.533(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: C6H5CON(OCH3)CH3

DETAILS

Sigma Aldrich - 345415

Packaging
5, 25 g in glass bottle