Atraton

Base Information

• Chemical Name: Atraton
• CAS No.: 1610-17-9
• Molecular Formula: C9H17 N5 O
• Molecular Weight: 211.267
• Hs Code.: 2933699090
• European Community (EC) Number: 216-547-5
• NSC Number: 163045
• UNII: 3357WM07W3
• DSSTox Substance ID: DTXSID0037493
• Nikkaji Number: J9.506K
• Wikidata: Q27155816
• ChEMBL ID: CHEMBL1231002
• Mol file: 1610-17-9.mol

Synonyms:atraton;atratone;N-ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine;NEMMTD cpd

Chemical Property of Atraton

Chemical Property:

• Vapor Pressure: 3.9E-05mmHg at 25°C
• Refractive Index: 1.7610 (estimate)
• Boiling Point: 352.2°Cat760mmHg
• PKA: 4.31±0.41(Predicted)
• Flash Point: 166.8°C
• PSA: 71.96000
• Density: 1.161g/cm³
• LogP: 1.27830
• Storage Temp.: APPROX 4°C
• Water Solubility.: 1.67g/L(25 oC)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 211.14331018
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

98%,99%, ^*data from raw suppliers

Atraton ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T,F
• Hazard Codes: Xn,T,F
• Statements: 22-39/23/24/25-23/24/25-11
• Safety Statements: 22-24/25-45-24-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCNC1=NC(=NC(=N1)OC)NC(C)C
• Uses: Atraton is a toxic herbicide and an environmental contaminants.

Technology Process of Atraton

There total 2 articles about Atraton which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methanol (67-56-1) + 6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine (1912-24-9,93616-39-8) → 2-methoxy-4-isopropylamino-6-ethylamino-1,3,5-triazine (1610-17-9)

Guidance literature:

With polymer (2-sulfoethyl methacrylate - methacrylic acid,; In chloroform; at 25 ℃; for 24h; Further Variations:; Reagents; Kinetics;

DOI:10.1039/b407002j

Reference yield:

→ 2-methoxy-4-isopropylamino-6-ethylamino-1,3,5-triazine (1610-17-9)

Guidance literature:

DOI:10.1002/mrc.1270100150 DOI:10.1021/jf60168a030

Reference yield:

2-methoxy-4-isopropylamino-6-ethylamino-1,3,5-triazine (1610-17-9) → Hydroxyatrazine (2163-68-0) + Desisopropylatraton (30360-56-6)

Guidance literature:

In water; at 24.85 ℃; pH=6; Kinetics; Irradiation;

DOI:10.1002/poc.624

upstream raw materials:

methanol

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine

Downstream raw materials:

Hydroxyatrazine

Desisopropylatraton

Refernces

• 1、 Tseng,C.K.,Mihailovski,A.. "-". . p. 224. Retrieved 1977.
• 2、 -. "Halopyridyl triazolinone herbicides and herbicidal use thereof". . . Retrieved 2008/06/13.