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Trimethylphenylammonium Iodide

CAT: 0572-TRC-T796640-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T796640-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98-04-4
Synonyms
Trimethylanilinium Iodide; Phenyltrimethylammonium Iodide; N,N,N-Trimethylanilinium Iodide;
Hazard Statement
No Data Available
Smiles
[I-].C[N+](C)(C)c1ccccc1
Molecular Formula
C9H14IN
Molecular Weight
263.12
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Trimethylphenylammonium iodide
CAS Number98-04-4
PubChem CID94135
IUPAC Nametrimethyl(phenyl)azanium iodide
Molecular FormulaC9H14IN
Molecular Weight263.12
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity95
SMILES
C[N+](C)(C)C1=CC=CC=C1.[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
InChIKey
KKLAORVGAKUOPZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Trimethylphenylammonium iodide
CAS: 98-04-4
CID: 94135
Formula: C9H14IN
MW: 263.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.12
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass263.01710
Monoisotopic Mass263.01710
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity95.8
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

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