4,6-bis(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine

• ChemBase ID: 296068
• Molecular Formular: C17H22N6O2
• Molecular Mass: 342.39558
• Monoisotopic Mass: 342.18042397
• SMILES: c1ccc(cc1)Nc1nc(nc(n1)N1CCOCC1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1nc(nc(n1)N1CCOCC1)Nc1ccccc1
• InChI: InChI=1S/C17H22N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h1-5H,6-13H2,(H,18,19,20,21)
• InChIKey: MKAUGKLCEXBZIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-bis(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4,6-bis(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine
• Synonyms: AMMT; 2-Anilino-4,6-bis(4-morpholinyl)-1,3,5-triazine; 2-Anilino-4,6-di(4-morpholinyl)-1,3,5-triazine; 2-苯胺基-4,6-双(呀啉代)-1,3,5-三嗪

Database IDs

• CAS Number: 93438-27-8
• MDL Number: MFCD00272422
• PubChem SID: 180681599
• PubChem CID: 749680

CALCULATED PROPERTIES

• Acid pKa: 13.012619
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 2.059615
• LogD (pH = 7.4): 3.0521019
• Log P: 3.1111026
• Molar Refractivity: 97.852 cm^3
• Polarizability: 35.34557 Å^3
• Polar Surface Area: 75.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171-174°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%