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Atomoxetine Impurity 1 HCl

CAT: 1596-AR-A02764-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02764-01Size:10 Units
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CAS Number
42064-62-0
Synonyms
N, N-dimethyl-3-phenyl-3- (o-tolyloxy) propan-1-amine hydrochloride
Molecular Formula
C18H23NO. HCl
Molecular Weight
269.39 36.46
API Name
Atomoxetine

Chemical Information

N,N-dimethyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
CAS Number42064-62-0
PubChem CID91827280
IUPAC NameN,N-dimethyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
Molecular FormulaC18H24ClNO
Molecular Weight305.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity260
SMILES
CC1=CC=CC=C1OC(CCN(C)C)C2=CC=CC=C2.Cl
InChI
InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)20-18(13-14-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKey
HJUFYQDDDIXCKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-dimethyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
CAS: 42064-62-0
CID: 91827280
Formula: C18H24ClNO
MW: 305.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass305.1546421
Monoisotopic Mass305.1546421
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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