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GBR12783

CAT: 0013-GTR19153875-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153875-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potent and selective DA uptake inhibitor
CAS Number
67469-57-2
Purity
>98%
Smiles
C (OCCN1CCN (C/C=C/C2C=CC=CC=2) CC1) (C1C=CC=CC=1) C1C=CC=CC=1
Molecular Formula
C28H34Cl2N2O
Molecular Weight
485.49
Notes
For research use only.

Chemical Information

1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine

1-[2-(diphenylmethyl)oxyethyl]-4-(3-phenylprop-2-enyl)piperazine is a diarylmethane.

CAS Number67469-57-2
PubChem CID5788723
IUPAC Name1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Molecular FormulaC28H32N2O
Molecular Weight412.6
XLogP5.6
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity477
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
InChIKey
XFBDGHFDKJITGC-JLHYYAGUSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CAS: 67469-57-2
CID: 5788723
Formula: C28H32N2O
MW: 412.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass412.251463648
Monoisotopic Mass412.251463648
Topological Polar Surface Area15.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity477
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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