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1-Allylpiperazine

CAT: 0024-sc-224527Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-224527Size:1 g
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CAS Number
13961-36-9

Chemical Information

1-Allylpiperazine
CAS Number13961-36-9
PubChem CID806422
IUPAC Name1-prop-2-enylpiperazine
Molecular FormulaC7H14N2
Molecular Weight126.20
XLogP0.3
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
C=CCN1CCNCC1
InChI
InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2
InChIKey
ZWAQJGHGPPDZSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Allylpiperazine
CAS: 13961-36-9
CID: 806422
Formula: C7H14N2
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass126.115698455
Monoisotopic Mass126.115698455
Topological Polar Surface Area15.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.9
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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