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Levocetirizine Impurity 10

CAT: 1299-RM-L052240-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L052240-01Size:10 mg
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CAS Number
6531-38-0
Synonyms
2,2'- (piperazine-1,4-diyl) bis (ethan-1-amine)
Molecular Formula
C8H20N4
Molecular Weight
172.28
Target Alternative Name
Levocetirizine
Product Name Synonym
2,2'- (piperazine-1,4-diyl) bis (ethan-1-amine)

Chemical Information

1,4-Piperazinediethylamine
CAS Number6531-38-0
PubChem CID81020
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine
Molecular FormulaC8H20N4
Molecular Weight172.27
XLogP-1.8
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity95
SMILES
C1CN(CCN1CCN)CCN
InChI
InChI=1S/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2
InChIKey
PAOXFRSJRCGJLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Piperazinediethylamine
CAS: 6531-38-0
CID: 81020
Formula: C8H20N4
MW: 172.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.27
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass172.16879665
Monoisotopic Mass172.16879665
Topological Polar Surface Area58.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity95.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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