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Acetamiprid-N-desmethyl

CAT: 0572-TRC-C428803-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C428803-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
190604-92-3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
C\C(=N/C#N)\NCc1ccc(Cl)nc1
Molecular Formula
C9 H9 Cl N4
Molecular Weight
208.65
InChI
InChI=1S/C9H9ClN4/c1-7(14-6-11)12-4-8-2-3-9(10)13-5-8/h2-3,5H,4H2,1H3,(H,12,14)
Additionnal Information
IUPAC name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyanoethanimidamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(E)-N-((6-chloropyridin-3-yl)methyl)-N'-cyanoethanimidamide
CAS Number190604-92-3
PubChem CID11344811
IUPAC NameN'-[(6-chloro-3-pyridinyl)methyl]-N-cyanoethanimidamide
Molecular FormulaC9H9ClN4
Molecular Weight208.65
XLogP1.3
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity255
SMILES
CC(=NCC1=CN=C(C=C1)Cl)NC#N
InChI
InChI=1S/C9H9ClN4/c1-7(14-6-11)12-4-8-2-3-9(10)13-5-8/h2-3,5H,4H2,1H3,(H,12,14)
InChIKey
AYEAUPRZTZWBBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (E)-N-((6-chloropyridin-3-yl)methyl)-N'-cyanoethanimidamide
CAS: 190604-92-3
CID: 11344811
Formula: C9H9ClN4
MW: 208.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.65
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass208.0515740
Monoisotopic Mass208.0515740
Topological Polar Surface Area61.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity255
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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