benzyl(phenylmethylidene)amine

• ChemBase ID: 158749
• Molecular Formular: C14H13N
• Molecular Mass: 195.25972
• Monoisotopic Mass: 195.10479942
• SMILES: c1ccc(cc1)C/N=C/c1ccccc1
• Canonical SMILES: c1ccc(cc1)C/N=C/c1ccccc1
• InChI: InChI=1S/C14H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-11H,12H2
• InChIKey: MIYKHJXFICMPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(phenylmethylidene)amine
• IUPAC Traditional name: benzyl(phenylmethylidene)amine
• Synonyms: N-Benzylidenebenzylamine

Database IDs

• CAS Number: 780-25-6
• EC Number: 212-304-2
• MDL Number: MFCD00010006
• PubChem SID: 162252885; 24853853
• PubChem CID: 95831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5384178
• LogD (pH = 7.4): 3.5860233
• Log P: 3.6465588
• Molar Refractivity: 64.2084 cm^3
• Polarizability: 24.409384 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 143-144 °C/5 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.038 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.6004(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 99%
• Linear Formula: C6H5CH2N=CHC6H5

DETAILS

Sigma Aldrich - 231304

Application
Indicator for organolithium assay.
Packaging
5, 25 g in glass bottle