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Atraton

CAT: 0013-GTR19202007-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202007-03Size:100 mg
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Description
Atraton is a triazine herbicide used as a chemical tool in agricultural research. It is applied in both in vitro and in vivo studies to investigate herbicide mechanisms, plant physiology, and environmental fate.
CAS Number
1610-17-9
Smiles
CCNc1nc (NC (C) C) nc (OC) n1
Molecular Formula
C9H17N5O
Molecular Weight
211.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Atraton

Atraton is a diamino-1,3,5-triazine that is N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is a diamino-1,3,5-triazine and a methoxy-1,3,5-triazine.

CAS Number1610-17-9
PubChem CID15359
IUPAC Name4-N-ethyl-6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Molecular FormulaC9H17N5O
Molecular Weight211.26
XLogP2.7
Topological Polar Surface Area72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity178
SMILES
CCNC1=NC(=NC(=N1)OC)NC(C)C
InChI
InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKey
PXWUKZGIHQRDHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Atraton
CAS: 1610-17-9
CID: 15359
Formula: C9H17N5O
MW: 211.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.26
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass211.14331018
Monoisotopic Mass211.14331018
Topological Polar Surface Area72 Ų
Heavy Atom Count15
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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