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Benzyltrimethylammonium Chloride

CAT: 0203-04722-72Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0203-04722-72Size:25 g
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CAS Number
56-93-9
UN Code
2811
Purity
≧ 98.0% (T)
Storage Conditions
A (Cool & dark)
Grade
GR (Guaranteed Reagent)

Chemical Information

Benzyltrimethylammonium chloride

Benzyltrimethylammonium chloride appears as light yellow liquid with a mild almond odor. May float or sink in water. (USCG, 1999)

CAS Number56-93-9
PubChem CID5963
IUPAC Namebenzyl(trimethyl)azanium chloride
Molecular FormulaC10H16ClN
Molecular Weight185.69
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.[Cl-]
InChI
InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKey
KXHPPCXNWTUNSB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzyltrimethylammonium chloride
CAS: 56-93-9
CID: 5963
Formula: C10H16ClN
MW: 185.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight185.69
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass185.0971272
Monoisotopic Mass185.0971272
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