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Benzyltrimethylammonium fluoride

CAT: 1266-JH258668Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
329-97-5
HS Code
2933990099
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Molecular Formula
C10H16FN
Molecular Weight
169.24
Product Name Synonym
N, N, N-TRIMETHYL-1-PHENYLMETHANAMINIUM FLUORIDE HYDRATE
Safety Statements
S53-S45

Chemical Information

Benzyltrimethylammonium Fluoride
CAS Number329-97-5
PubChem CID11062816
IUPAC Namebenzyl(trimethyl)azanium fluoride
Molecular FormulaC10H16FN
Molecular Weight169.24
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity107
SMILES
C[N+](C)(C)CC1=CC=CC=C1.[F-]
InChI
InChI=1S/C10H16N.FH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKey
KFSZGBHNIHLIAA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzyltrimethylammonium Fluoride
CAS: 329-97-5
CID: 11062816
Formula: C10H16FN
MW: 169.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass169.126677677
Monoisotopic Mass169.126677677
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity107
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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