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Cinnarizine EP Impurity B

CAT: 1299-RM-C141802-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C141802-01Size:10 mg
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CAS Number
750512-44-8
Synonyms
(Z) -1- (Diphenylmethyl) -4- (3-phenylprop-2-enyl) piperazine
Molecular Formula
C26H28N2
Molecular Weight
368.51
Target Alternative Name
Cinnarizine
Product Name Synonym
(Z) -1- (Diphenylmethyl) -4- (3-phenylprop-2-enyl) piperazine

Chemical Information

(E)-1-Benzhydryl-4-cinnamylpiperazine
CAS Number750512-44-8
PubChem CID1615336
IUPAC Name1-benzhydryl-4-[(Z)-3-phenylprop-2-enyl]piperazine
Molecular FormulaC26H28N2
Molecular Weight368.5
XLogP5.8
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity429
SMILES
C1CN(CCN1C/C=C\C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10-
InChIKey
DERZBLKQOCDDDZ-RAXLEYEMSA-N
Chemical Structure
2D Structure
2D structure of (E)-1-Benzhydryl-4-cinnamylpiperazine
CAS: 750512-44-8
CID: 1615336
Formula: C26H28N2
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass368.225248902
Monoisotopic Mass368.225248902
Topological Polar Surface Area6.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity429
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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