N,N-diphenylformamide

• ChemBase ID: 110345
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: O=CN(c1ccccc1)c1ccccc1
• Canonical SMILES: O=CN(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
• InChIKey: DCNUQRBLZWSGAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diphenylformamide
• IUPAC Traditional name: formamide, N,N-diphenyl-
• Synonyms: N,N-Diphenylformamide; N,N-DIPHENYLFORMAMIDE; N,N-二苯基甲酰胺

Database IDs

• CAS Number: 607-00-1
• EC Number: 210-129-6
• MDL Number: MFCD00003282
• Beilstein Number: 2209397
• PubChem SID: 162096429; 24893617
• PubChem CID: 69081

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.684282
• LogD (pH = 7.4): 2.684282
• Log P: 2.684282
• Molar Refractivity: 59.324 cm^3
• Polarizability: 22.965343 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-73 °C; 69-73 °C(lit.)
• Boiling Point: 337 °C/762 mmHg(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (GC); 99%
• Grade: liquid phase for GC; puriss. p.a.
• Impurities: ≤0.2% water
• Linear Formula: (C6H5)2NCHO

DETAILS

MP Biomedicals - 05214624

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D207608

Packaging
25, 100 g in glass bottle