2,4-dichloro-6-(morpholin-4-yl)-1,3,5-triazine

• ChemBase ID: 67841
• Molecular Formular: C7H8Cl2N4O
• Molecular Mass: 235.07062
• Monoisotopic Mass: 234.00751626
• SMILES: n1c(nc(nc1N1CCOCC1)Cl)Cl
• Canonical SMILES: Clc1nc(nc(n1)Cl)N1CCOCC1
• InChI: InChI=1S/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2
• InChIKey: UQAMDAUJTXFNAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-(morpholin-4-yl)-1,3,5-triazine
• IUPAC Traditional name: 2,4-dichloro-6-(morpholin-4-yl)-1,3,5-triazine
• Synonyms: 2,4-Dichloro-6-morpholino-1,3,5-triazine; 2,4-Dichloro-6-(morpholin-4-yl)-1,3,5-triazine; 2,4-Dichloro-6-(4-morpholinyl)-1,3,5-triazine; 2,4-二氯-6-(4-吗啉基)-1,3,5-三嗪

Database IDs

• CAS Number: 6601-22-5
• EC Number: 229-544-9
• MDL Number: MFCD00460178
• PubChem SID: 162033576
• PubChem CID: 81076

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.241162
• LogD (pH = 7.4): 2.241162
• Log P: 2.241162
• Molar Refractivity: 56.9679 cm^3
• Polarizability: 20.3428 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 0.387

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 95+%; 97%; 98%