2-methyl-N-[1-(6-{1-[(2-methylphenyl)imino]ethyl}pyridin-2-yl)ethylidene]aniline

• ChemBase ID: 141496
• Molecular Formular: C23H23N3
• Molecular Mass: 341.44882
• Monoisotopic Mass: 341.18919775
• SMILES: Cc1c(cccc1)/N=C(/c1nc(ccc1)/C(=N/c1c(cccc1)C)/C)\C
• Canonical SMILES: C/C(=N\c1ccccc1C)/c1cccc(n1)/C(=N/c1ccccc1C)/C
• InChI: InChI=1S/C23H23N3/c1-16-10-5-7-12-20(16)24-18(3)22-14-9-15-23(26-22)19(4)25-21-13-8-6-11-17(21)2/h5-15H,1-4H3
• InChIKey: FWPJMGBMVWKPTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[1-(6-{1-[(2-methylphenyl)imino]ethyl}pyridin-2-yl)ethylidene]aniline
• IUPAC Traditional name: 2-methyl-N-[1-(6-{1-[(2-methylphenyl)imino]ethyl}pyridin-2-yl)ethylidene]aniline
• Synonyms: 2,6-Bis[1-(2-methylphenylimino)ethyl]pyridine; 2,6-双[1-(2-甲基苯亚氨基)乙基]吡啶

Database IDs

• CAS Number: 210537-32-9
• MDL Number: MFCD01862437
• PubChem SID: 162235730
• PubChem CID: 11271962

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9928813
• LogD (pH = 7.4): 5.9929285
• Log P: 5.992929
• Molar Refractivity: 111.5363 cm^3
• Polarizability: 40.985516 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 25
• Safety Statements: 45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H413
• GHS Precautionary statements: P264-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: 96.5-103.5% (titration); 97%
• Empirical Formula (Hill Notation): C23H23N3

DETAILS

Sigma Aldrich - 690619

Packaging
500 mg in poly tube