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CAT: 0498-bs-75808C-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0498-bs-75808C-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7270-83-9
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Powder
Solubility
Soluble in DMSO or DMF.
Smiles
[I-].CC(=O)OC1=CC=C2C=CC=[N+](C)C2=C1
Molecular Formula
C12H12INO2
Molecular Weight
329.13
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
Yellow powder.

Chemical Information

7-Acetoxy-1-methylquinolinium iodide
CAS Number7270-83-9
PubChem CID9883921
IUPAC Name(1-methylquinolin-1-ium-7-yl) acetate iodide
Molecular FormulaC12H12INO2
Molecular Weight329.13
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity242
SMILES
CC(=O)OC1=CC2=C(C=CC=[N+]2C)C=C1.[I-]
InChI
InChI=1S/C12H12NO2.HI/c1-9(14)15-11-6-5-10-4-3-7-13(2)12(10)8-11;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKey
IFUAVRXVEJBLFI-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 7-Acetoxy-1-methylquinolinium iodide
CAS: 7270-83-9
CID: 9883921
Formula: C12H12INO2
MW: 329.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight329.13
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass328.99128
Monoisotopic Mass328.99128
Topological Polar Surface Area30.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes