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Oxapropanium iodide

CAT: 0931-T33838-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33838-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
541-66-2
Target
Others
Related Pathways
Others
Bioactivity
Oxapropanium iodide is a biochemical.
Smiles
[I-].O1COC(C1)C[N+](C)(C)C
Molecular Formula
C7H16INO2
Molecular Weight
273.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)
CAS Number541-66-2
PubChem CID10939
IUPAC Name1,3-dioxolan-4-ylmethyl(trimethyl)azanium iodide
Molecular FormulaC7H16INO2
Molecular Weight273.11
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity109
SMILES
C[N+](C)(C)CC1COCO1.[I-]
InChI
InChI=1S/C7H16NO2.HI/c1-8(2,3)4-7-5-9-6-10-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKey
HQWAEQCLIWVOMF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-, iodide (1:1)
CAS: 541-66-2
CID: 10939
Formula: C7H16INO2
MW: 273.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass273.02258
Monoisotopic Mass273.02258
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity109
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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