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Aligeron 10mg

CAT: 0628-A13241-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13241-10Size:10 mg
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CAS Number
70713-45-0

Chemical Information

Aligeron

RN given refers to parent cpd; aligeron & AS 2 are for di-HCl

CAS Number70713-45-0
PubChem CID166145
IUPAC Name1-benzhydryl-4-prop-2-enylpiperazine
Molecular FormulaC20H24N2
Molecular Weight292.4
XLogP4.3
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity303
SMILES
C=CCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2/c1-2-13-21-14-16-22(17-15-21)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-12,20H,1,13-17H2
InChIKey
QWGCFVBATALVAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aligeron
CAS: 70713-45-0
CID: 166145
Formula: C20H24N2
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass292.193948774
Monoisotopic Mass292.193948774
Topological Polar Surface Area6.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity303
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