Pyrimethamine 3-N-oxide
[CAS# 67412-31-1]

Identification

• Name: Pyrimethamine 3-N-oxide
• Synonyms: 5-[(4-Chlorophenyl)Methyl]-6-Ethyl-3-Hydroxy-2-Imino-Pyrimidin-4-Amine; 5-[(4-Chlorophenyl)Methyl]-6-Ethyl-3-Hydroxy-2-Imino-4-Pyrimidinamine; [5-(4-Chlorobenzyl)-6-Ethyl-3-Hydroxy-2-Imino-Pyrimidin-4-Yl]Amine
• Molecular Formula: C₁₃H₁₅ClN₄O
• Molecular Weight: 278.74
• CAS Registry Number: 67412-31-1
• SMILES: C2=C(CC1=C(N(O)C(N=C1CC)=N)N)C=CC(=C2)Cl
• InChI: 1S/C13H15ClN4O/c1-2-11-10(12(15)18(19)13(16)17-11)7-8-3-5-9(14)6-4-8/h3-6,16,19H,2,7,15H2,1H3
• InChIKey: ZWCGQUMUTNISIG-UHFFFAOYSA-N

Properties

• Desity: 1.396g/cm³ (Cal.)
• Boiling point: 431.007°C at 760 mmHg (Cal.)
• Flash point: 214.465°C (Cal.)