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Home Halogens 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2,N4-triethyl-

1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2,N4-triethyl-

CAS No.:
1912-26-1
Catalog Number:
AG002F3Q
Molecular Formula:
C9H16ClN5
Molecular Weight:
229.7098
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Product Description
Catalog Number:
AG002F3Q
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2,N4-triethyl-
CAS Number:
1912-26-1
Molecular Formula:
C9H16ClN5
Molecular Weight:
229.7098
MDL Number:
MFCD00128251
IUPAC Name:
6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)
InChI Key:
HFBWPRKWDIRYNX-UHFFFAOYSA-N
SMILES:
CCNc1nc(Cl)nc(n1)N(CC)CC
EC Number:
217-618-3
UNII:
6O99365GHN
NSC Number:
13908
RTECS Number:
XY5425000
UN Number:
3077
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.109g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.712g/mol
Monoisotopic Mass:
229.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Determination of phenylurea and triazine herbicides in milk by microwave assisted ionic liquid microextraction high-performance liquid chromatography. Talanta 20100915
Chlorotriazine herbicides and metabolites activate an ACTH-dependent release of corticosterone in male Wistar rats. Toxicological sciences : an official journal of the Society of Toxicology 20091101
Estimating constants for metabolism of atrazine in freshly isolated rat hepatocytes by kinetic modeling. Toxicology in vitro : an international journal published in association with BIBRA 20070401
Direct aqueous injection liquid chromatography/electrospray ionization-mass spectrometry/mass spectrometry analysis of water for atrazine, simazine, and their chlorotriazine metabolites. Journal of agricultural and food chemistry 20060208
Analytical method for the determination of atrazine and its dealkylated chlorotriazine metabolites in water using SPE sample preparation and GC-MSD analysis. Journal of agricultural and food chemistry 20031203
Alteration of catecholamines in pheochromocytoma (PC12) cells in vitro by the metabolites of chlorotriazine herbicide. Toxicological sciences : an official journal of the Society of Toxicology 20010101
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