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Flunarizine Impurity 19

CAT: 1299-RM-F121419-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F121419-01Size:10 mg
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CAS Number
18903-01-0
Synonyms
1- (3-phenylallyl) piperazine
Molecular Formula
C13H18N2
Molecular Weight
202.3
Target Alternative Name
Flunarizine
Product Name Synonym
1- (3-phenylallyl) piperazine

Chemical Information

1-Cinnamylpiperazine
CAS Number18903-01-0
PubChem CID726896
IUPAC Name1-[(E)-3-phenylprop-2-enyl]piperazine
Molecular FormulaC13H18N2
Molecular Weight202.30
XLogP1.7
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity189
SMILES
C1CN(CCN1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+
InChIKey
WGEIOMTZIIOUMA-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of 1-Cinnamylpiperazine
CAS: 18903-01-0
CID: 726896
Formula: C13H18N2
MW: 202.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.30
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass202.146998583
Monoisotopic Mass202.146998583
Topological Polar Surface Area15.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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