Simeton

• CAS: 673-04-1
• Catalog Number: ACM673041
• Category: Other Products
• Molecular Weight: 197.24
• Molecular Formula: C₈H₁₅N₅O
• Synonyms: 1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-methoxy-;2,4-bis(ethylamino)-6-methoxy-s-triazin;2-Methoxy-4,6-bis(ethylamino)-1,3,5-triazine;2-Methoxy-4,6-bis(ethylamino)-s-triazine;4,6-Bis(ethylamino)-2-methoxy-s-triazine;G-30044;Geigy 30,044;geigy30,044
• IUPAC Name: 2-N,4-N-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
• Canonical SMILES: CCNC1=NC(=NC(=N1)OC)NCC
• InChI Key: HKAMKLBXTLTVCN-UHFFFAOYSA-N
• Boiling Point: 346.7ºC at 760 mmHg
• Melting Point: 92-94ºC
• Density: 1.195g/cm³
• EC Number: 211-601-4
• Exact Mass: 197.12800
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Safety Description: S22:Do not breathe dust .; S24/25:Avoid contact with skin and eyes .

Synthetic Use

Upstream Synthesis Route 1

• 122-34-9
• 124-41-4

• 673-04-1

Reference: [1]Pearlman; Banks
[Journal of the American Chemical Society, 1949, vol. 71, p. 1128]

Upstream Synthesis Route 2

• 122-34-9
• 67-56-1

• 673-04-1

Reference: [1]Takeuchi, Toshifumi; Ugata, Satoshi; Masuda, Shuichi; Matsui, Jun; Yane, Takehisa; Takase, Masayoshi
[Organic and biomolecular chemistry, 2004, vol. 2, # 18, p. 2563 - 2566]