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Fenfluramine Benzylethamine HCl Impurity

CAT: 1596-AR-F09491-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F09491-01Size:10 Units
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CAS Number
90388-99-1
Synonyms
N- (3- (Trifluoromethyl) benzyl) ethanamine hydrochloride salt
Molecular Formula
C10H12F3N: HCl
Molecular Weight
203.2: 35.45
API Name
Fenfluramine

Chemical Information

Ethyl-(3-trifluoromethylbenzyl)-amine hydrochloride
CAS Number90388-99-1
PubChem CID49795970
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]ethanamine;hydrochloride
Molecular FormulaC10H13ClF3N
Molecular Weight239.66
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity167
SMILES
CCNCC1=CC(=CC=C1)C(F)(F)F.Cl
InChI
InChI=1S/C10H12F3N.ClH/c1-2-14-7-8-4-3-5-9(6-8)10(11,12)13;/h3-6,14H,2,7H2,1H3;1H
InChIKey
XBWYYJIUWKGQAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl-(3-trifluoromethylbenzyl)-amine hydrochloride
CAS: 90388-99-1
CID: 49795970
Formula: C10H13ClF3N
MW: 239.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass239.0688616
Monoisotopic Mass239.0688616
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity167
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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