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Levocetirizine Impurity 5

CAT: 1299-RM-L052231-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L052231-01Size:10 mg
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CAS Number
109036-15-9
Synonyms
1- ((2-chlorophenyl) (phenyl) methyl) piperazine
Molecular Formula
C17H19ClN2
Molecular Weight
286.8
Target Alternative Name
Levocetirizine
Product Name Synonym
1- ((2-chlorophenyl) (phenyl) methyl) piperazine

Chemical Information

1-[(2-Chlorophenyl)(phenyl)methyl]piperazine
CAS Number109036-15-9
PubChem CID5234748
IUPAC Name1-[(2-chlorophenyl)-phenylmethyl]piperazine
Molecular FormulaC17H19ClN2
Molecular Weight286.8
XLogP3.4
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity285
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H19ClN2/c18-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKey
RLZPNIGECDMAJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[(2-Chlorophenyl)(phenyl)methyl]piperazine
CAS: 109036-15-9
CID: 5234748
Formula: C17H19ClN2
MW: 286.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.8
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass286.1236763
Monoisotopic Mass286.1236763
Topological Polar Surface Area15.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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