N,N'-diphenylmethanimidamide

• ChemBase ID: 151544
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: c1ccc(cc1)N/C=N/c1ccccc1
• Canonical SMILES: c1ccc(cc1)N/C=N/c1ccccc1
• InChI: InChI=1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)
• InChIKey: ZQUVDXMUKIVNOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-diphenylmethanimidamide; (E)-N,N'-diphenylmethanimidamide
• IUPAC Traditional name: N,N'-diphenylmethanimidamide; (E)-N,N'-diphenylmethanimidamide
• Synonyms: N,N′-Diphenylformamidine; N,N'-Diphenylformamidine; N,N′-二苯甲脒; N,N'-二苯基甲脒

Database IDs

• CAS Number: 622-15-1
• EC Number: 210-720-9
• MDL Number: MFCD00003026
• Beilstein Number: 511953
• PubChem SID: 24866914; 162245697; 24849829
• PubChem CID: 94888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5316666
• LogD (pH = 7.4): 2.6205425
• Log P: 3.224016
• Molar Refractivity: 65.1761 cm^3
• Polarizability: 23.656536 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-139 °C(lit.); 136-139°C

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: PB7705000
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (NT); 98%
• Grade: technical
• Linear Formula: C6H5NHCH=NC6H5

DETAILS

Sigma Aldrich - 159646

Packaging
25, 100 g in glass bottle