6-(morpholin-4-yl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

• ChemBase ID: 296069
• Molecular Formular: C19H20N6O
• Molecular Mass: 348.4017
• Monoisotopic Mass: 348.16985929
• SMILES: c1ccc(cc1)Nc1nc(nc(n1)N1CCOCC1)Nc1ccccc1
• Canonical SMILES: O1CCN(CC1)c1nc(Nc2ccccc2)nc(n1)Nc1ccccc1
• InChI: InChI=1S/C19H20N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h1-10H,11-14H2,(H2,20,21,22,23,24)
• InChIKey: GSXOUQFSYTZEJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 6-(morpholin-4-yl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
• Synonyms: AAMT; 2,4-Bis(anilino)-6-(4-morpholinyl)-1,3,5-triazine; 2,4-Dianilino-6-(4-morpholinyl)-1,3,5-triazine; 2,4-二苯胺基-6-(4-吗啉基)-1,3,5-三嗪

Database IDs

• CAS Number: 43167-79-9
• MDL Number: MFCD00272362
• PubChem SID: 180681600
• PubChem CID: 780750

CALCULATED PROPERTIES

• Acid pKa: 12.668194
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 4.2621474
• LogD (pH = 7.4): 4.6531787
• Log P: 4.661485
• Molar Refractivity: 102.8351 cm^3
• Polarizability: 37.57466 Å^3
• Polar Surface Area: 75.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194-196°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%