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SIMETON

CAS No.:
673-04-1
Catalog Number:
AG00FADP
Molecular Formula:
C8H15N5O
Molecular Weight:
197.2376
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Product Description
Catalog Number:
AG00FADP
Chemical Name:
SIMETON
CAS Number:
673-04-1
Molecular Formula:
C8H15N5O
Molecular Weight:
197.2376
MDL Number:
MFCD01311011
IUPAC Name:
2-N,4-N-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
InChI Key:
HKAMKLBXTLTVCN-UHFFFAOYSA-N
SMILES:
CCNc1nc(NCC)nc(n1)OC
EC Number:
211-601-4
UNII:
387DQL493M
NSC Number:
163050
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.128g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.242g/mol
Monoisotopic Mass:
197.128g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Extraction of eight triazine and phenylurea herbicides in yogurt by ionic liquid foaming-based solvent floatation. Journal of chromatography. A 20120127
Ultrasonic nebulization extraction coupled with headspace hollow fiber microextraction of pesticides from root of Panax ginseng C.A. Mey. Journal of separation science 20110701
Differential pulse adsorptive stripping voltammetric determination of simeton in its formulations and vegetables. Environmental monitoring and assessment 20101101
Mineralization of s-triazine herbicides by a newly isolated Nocardioides species strain DN36. Applied microbiology and biotechnology 20100501
[Simultaneous determination of triazine herbicide residues in maize by gas chromatography]. Se pu = Chinese journal of chromatography 20061101
Properties