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Benzyltriethylammonium bromide

CAT: 0862-GK5113-250gSize: 250 gDry Ice: NoHazardous: No
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CAT#:0862-GK5113-250gSize:250 g
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CAS Number
5197-95-5
EC Number
225-986-1
MDL Number
MFCD00011822
HS Code
29239000
Purity
99.00%
Molecular Formula
C13H22BrN
Molecular Weight
272.24
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Benzyltriethylammonium bromide
CAS Number5197-95-5
PubChem CID165294
IUPAC Namebenzyl(triethyl)azanium bromide
Molecular FormulaC13H22BrN
Molecular Weight272.22
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.[Br-]
InChI
InChI=1S/C13H22N.BrH/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
CHQVQXZFZHACQQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzyltriethylammonium bromide
CAS: 5197-95-5
CID: 165294
Formula: C13H22BrN
MW: 272.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.22
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass271.09356
Monoisotopic Mass271.09356
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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Alternative Products

CatalogName
TRC-B316123-5GBenzyltriethylammonium Bromide
B09708-01Benzyltriethylammonium Bromide 99%
FB38031-01Benzyltriethylammonium chloride
003872Benzyltriethylammonium Borohydride
TYD-01551-01Benzyltriethylammonium tetrahydroborate
HY-W127697-01Benzyltriethylammonium (tetrahydroborate)
HY-W127634Benzyltriethylammonium (hydroxide)
HY-Y0667-01Benzyltriethylammonium (chloride)
sc-500642Benzyltriethylammonium Iodide
PC0721-01Benzyltriethylammonium tetrafluoroborate

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