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

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CAS#: 67412-31-1
Product: Pyrimethamine 3-N-oxide
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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 Structure CAS#: 67412-31-1, Pyrimethamine 3-N-oxide
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
Density 1.396g/cm3 (Cal.)
Boiling point 431.007°C at 760 mmHg (Cal.)
Flash point 214.465°C (Cal.)
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