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Benzyltriethylammonium chloride

CAT: 0013-GTR19202299-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202299-01Size:25 mg
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Description
Benzyltriethylammonium chloride is a quaternary ammonium salt used as a phase-transfer catalyst in organic synthesis. It facilitates reactions in both aqueous and organic phases, making it valuable for in vitro synthesis of pharmaceuticals and other fine chemicals in research settings.
CAS Number
56-37-1
Smiles
[Cl-].CC[N+] (CC) (CC) CC1=CC=CC=C1
Molecular Formula
C13H22ClN
Molecular Weight
227.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzyl triethylammonium chloride
CAS Number56-37-1
PubChem CID66133
IUPAC Namebenzyl(triethyl)azanium chloride
Molecular FormulaC13H22ClN
Molecular Weight227.77
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity135
SMILES
CC[N+](CC)(CC)CC1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey
HTZCNXWZYVXIMZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzyl triethylammonium chloride
CAS: 56-37-1
CID: 66133
Formula: C13H22ClN
MW: 227.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.77
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass227.1440774
Monoisotopic Mass227.1440774
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity135
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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