Atomoxetine Impurity 13

CAT: 1596-AR-A07280-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07280-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

5409-62-1

Molecular Formula

C17H19NO. HCl

Molecular Weight

253.35 36.46

API Name

Atomoxetine

Chemical Information

1-Propanone, 3-[methyl(phenylmethyl)amino]-1-phenyl-, hydrochloride (1:1)

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CAS Number	5409-62-1
PubChem CID	3034159
IUPAC Name	3-[benzyl(methyl)amino]-1-phenylpropan-1-one;hydrochloride
Molecular Formula	C17H20ClNO
Molecular Weight	289.8
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	264

SMILES

CN(CCC(=O)C1=CC=CC=C1)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H19NO.ClH/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16;/h2-11H,12-14H2,1H3;1H

InChIKey

UQMCPHGYLMSEPN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5409-62-1

CID: 3034159

Formula: C17H20ClNO

MW: 289.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	289.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	289.1233420
Monoisotopic Mass	289.1233420
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes