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Trimethylphenylammonium-d9 Iodide

CAT: 0572-TRC-T796642-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T796642-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88278-22-2
Synonyms
Trimethylanilinium-d9 Iodide; Phenyltrimethylammonium-d9 Iodide; N,N,N-Trimethylanilinium-d9 Iodide;
Hazard Statement
No Data Available
Smiles
[I-].[2H]C([2H])([2H])[N+](c1ccccc1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C9H5D9IN
Molecular Weight
272.17
Shipping Conditions
Room Temperature

Chemical Information

Trimethylphenylammonium-d9 Iodide
CAS Number88278-22-2
PubChem CID46783198
IUPAC Namephenyl-tris(trideuteriomethyl)azanium iodide
Molecular FormulaC9H14IN
Molecular Weight272.17
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity95
SMILES
[2H]C([2H])([2H])[N+](C1=CC=CC=C1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[I-]
InChI
InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1/i1D3,2D3,3D3;
InChIKey
KKLAORVGAKUOPZ-KYRNGWDOSA-M
Chemical Structure
2D Structure
2D structure of Trimethylphenylammonium-d9 Iodide
CAS: 88278-22-2
CID: 46783198
Formula: C9H14IN
MW: 272.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.17
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass272.07359
Monoisotopic Mass272.07359
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity95.8
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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sc-213119Trimethylphenylammonium-d9 Iodide
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HY-107654SMuscarine-d9 (iodide)
HY-143950S-01DOTAP-d9 (iodide)
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